3-benzyl-1-[(E)-({3-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)amino]thiourea

3-benzyl-1-[(E)-({3-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)amino]thiourea

Formula: C23H22N4O4S

SMILES: [O-][N+](=O)C1=CC=C(OCCOC2=CC(C=NNC(=S)NCC3=CC=CC=C3)=CC=C2)C=C1

IUPAC: 3-benzyl-1-[(E)-({3-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)amino]thiourea

InChI: InChI=1S/C23H22N4O4S/c28-27(29)20-9-11-21(12-10-20)30-13-14-31-22-8-4-7-19(15-22)17-25-26-23(32)24-16-18-5-2-1-3-6-18/h1-12,15,17H,13-14,16H2,(H2,24,26,32)/b25-17+

Composition: C (61.32%), H (4.92%), N (12.44%), O (14.21%), S (7.12%)

Molar Mass: 450.51

Atom Count: 54

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	450.136176378
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	YTZFGPQLTHQMHR-KOEQRZSOSA-N
Lipinski's Rule of Five
Molar Refractivity	127.08
Topological Polar Surface Area	98.02
Polarizability	48.36
Ring Count	3
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H22N4O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00