N-[(4-aminocarbonylphenyl)methyl]-N-cyclopropyl-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-[(4-aminocarbonylphenyl)methyl]-N-cyclopropyl-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(4-carbamoylbenzyl)-N-cyclopropyl-4-(isoamylthio)-3-nitro-benzamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)N(CC2=CC=C(C=C2)C(=O)N)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N(CC2=CC=C(C=C2)C(=O)N)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O4S/c1-15(2)11-12-31-21-10-7-18(13-20(21)26(29)30)23(28)25(19-8-9-19)14-16-3-5-17(6-4-16)22(24)27/h3-7,10,13,15,19H,8-9,11-12,14H2,1-2H3,(H2,24,27)