1-[(E)-{[4-methoxy-3-(3-methyl-4-nitrophenoxymethyl)phenyl]methylidene}amino]-3-(prop-2-en-1-yl)thiourea

1-[(E)-{[4-methoxy-3-(3-methyl-4-nitrophenoxymethyl)phenyl]methylidene}amino]-3-(prop-2-en-1-yl)thiourea

Formula: C20H22N4O4S

SMILES: COC1=CC=C(C=NNC(=S)NCC=C)C=C1COC1=CC=C(C(C)=C1)[N+]([O-])=O

IUPAC: 1-[(E)-({4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}methylidene)amino]-3-(prop-2-en-1-yl)thiourea

InChI: InChI=1S/C20H22N4O4S/c1-4-9-21-20(29)23-22-12-15-5-8-19(27-3)16(11-15)13-28-17-6-7-18(24(25)26)14(2)10-17/h4-8,10-12H,1,9,13H2,2-3H3,(H2,21,23,29)/b22-12+

Composition: C (57.96%), H (5.35%), N (13.52%), O (15.44%), S (7.73%)

Molar Mass: 414.48

Atom Count: 51

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	414.136176378
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	OEDJAZHBPNQOQC-WSDLNYQXSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.19
Topological Polar Surface Area	98.02
Polarizability	43.97
Ring Count	2
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H22N4O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00