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

Systemtic Name: 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide Openeye Name: 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide CAS Name: 2-[(1-cyclopropyl-2-imidazolyl)thio]-N-[(4-nitroanilino)-oxomethyl]propanamide IUPAC Name: 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide Traditional Name: 2-[(1-cyclopropylimidazol-2-yl)thio]-N-[(4-nitrophenyl)carbamoyl]propionamide Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC=CN2C3CC3

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC=CN2C3CC3

InChI

InChI=1S/C16H17N5O4S/c1-10(26-16-17-8-9-20(16)12-6-7-12)14(22)19-15(23)18-11-2-4-13(5-3-11)21(24)25/h2-5,8-10,12H,6-7H2,1H3,(H2,18,19,22,23)