3-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-4-nitro-phenyl)propanamide

Systemtic Name: 3-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: 3-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 3-[(1-methyl-2-benzimidazolyl)thio]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 3-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 3-[(1-methylbenzimidazol-2-yl)thio]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C18H18N4O3S MolecularWeight: 370.42552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NC3=CC=CC=C3N2C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C18H18N4O3S/c1-12-11-13(22(24)25)7-8-14(12)19-17(23)9-10-26-18-20-15-5-3-4-6-16(15)21(18)2/h3-8,11H,9-10H2,1-2H3,(H,19,23)