2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide

Systemtic Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide Openeye Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide CAS Name: 2-[(1-methyl-2-benzimidazolyl)thio]-N-[(4-nitroanilino)-oxomethyl]propanamide IUPAC Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide Traditional Name: 2-[(1-methylbenzimidazol-2-yl)thio]-N-[(4-nitrophenyl)carbamoyl]propionamide Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2C

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C18H17N5O4S/c1-11(28-18-20-14-5-3-4-6-15(14)22(18)2)16(24)21-17(25)19-12-7-9-13(10-8-12)23(26)27/h3-11H,1-2H3,(H2,19,21,24,25)