methyl N-[(4-azanyl-3-nitro-phenyl)-phenyl-methyl]-N'-(2,2-dimethoxyethyl)carbamimidothioate

Systemtic Name: methyl N-[(4-azanyl-3-nitro-phenyl)-phenyl-methyl]-N'-(2,2-dimethoxyethyl)carbamimidothioate Openeye Name: 1-[(4-amino-3-nitro-phenyl)-phenyl-methyl]-3-(2,2-dimethoxyethyl)-2-methyl-isothiourea CAS Name: N-[(4-amino-3-nitrophenyl)-phenylmethyl]-N'-(2,2-dimethoxyethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-[(4-amino-3-nitrophenyl)-phenylmethyl]-N'-(2,2-dimethoxyethyl)carbamimidothioate Traditional Name: 1-[(4-amino-3-nitro-phenyl)-phenyl-methyl]-3-(2,2-dimethoxyethyl)-2-methyl-isothiourea Formula: C19H24N4O4S MolecularWeight: 404.48326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4S/c1-26-17(27-2)12-21-19(28-3)22-18(13-7-5-4-6-8-13)14-9-10-15(20)16(11-14)23(24)25/h4-11,17-18H,12,20H2,1-3H3,(H,21,22)