1-[(E)-({4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl}methylidene)amino]-3-ethylthiourea

1-[(E)-({4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl}methylidene)amino]-3-ethylthiourea

Formula: C20H22N4O2S

SMILES: CCNC(=S)NN=CC1=CC=C(OCC2=CC=CC=C2C#N)C(OCC)=C1

IUPAC: 1-[(E)-({4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl}methylidene)amino]-3-ethylthiourea

InChI: InChI=1S/C20H22N4O2S/c1-3-22-20(27)24-23-13-15-9-10-18(19(11-15)25-4-2)26-14-17-8-6-5-7-16(17)12-21/h5-11,13H,3-4,14H2,1-2H3,(H2,22,24,27)/b23-13+

Composition: C (62.81%), H (5.80%), N (14.65%), O (8.37%), S (8.38%)

Molar Mass: 382.48

Atom Count: 49

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	382.146347138
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	QRDXMFFTILVRMY-YDZHTSKRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.89
Topological Polar Surface Area	78.67
Polarizability	42.42
Ring Count	2
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H22N4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00