4-(3-methylbutylsulfanyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-3-nitro-benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-[[4-[isopropyl(methyl)carbamoyl]phenyl]methyl]-3-nitro-benzamide CAS Name: 4-(3-methylbutylthio)-N-[[4-[[methyl(propan-2-yl)amino]-oxomethyl]phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-[4-[isopropyl(methyl)carbamoyl]benzyl]-3-nitro-benzamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(=O)N(C)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(=O)N(C)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H31N3O4S/c1-16(2)12-13-32-22-11-10-20(14-21(22)27(30)31)23(28)25-15-18-6-8-19(9-7-18)24(29)26(5)17(3)4/h6-11,14,16-17H,12-13,15H2,1-5H3,(H,25,28)