1-[(4-azanyl-3-nitro-phenyl)-phenyl-methyl]-3-(2,2-dimethoxyethyl)thiourea

Systemtic Name: 1-[(4-azanyl-3-nitro-phenyl)-phenyl-methyl]-3-(2,2-dimethoxyethyl)thiourea Openeye Name: 1-[(4-amino-3-nitro-phenyl)-phenyl-methyl]-3-(2,2-dimethoxyethyl)thiourea CAS Name: 1-[(4-amino-3-nitrophenyl)-phenylmethyl]-3-(2,2-dimethoxyethyl)thiourea IUPAC Name: 1-[(4-amino-3-nitrophenyl)-phenylmethyl]-3-(2,2-dimethoxyethyl)thiourea Traditional Name: 1-[(4-amino-3-nitro-phenyl)-phenyl-methyl]-3-(2,2-dimethoxyethyl)thiourea Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=S)NC(C1=CC=CC=C1)C2=CC(=C(C=C2)N)[N+](=O)[O-])OC

Isomeric SMILES

COC(CNC(=S)NC(C1=CC=CC=C1)C2=CC(=C(C=C2)N)[N+](=O)[O-])OC

InChI

InChI=1S/C18H22N4O4S/c1-25-16(26-2)11-20-18(27)21-17(12-6-4-3-5-7-12)13-8-9-14(19)15(10-13)22(23)24/h3-10,16-17H,11,19H2,1-2H3,(H2,20,21,27)