N-methyl-4-(3-methylbutylsulfanyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-nitro-benzamide

Systemtic Name: N-methyl-4-(3-methylbutylsulfanyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-nitro-benzamide CAS Name: N-methyl-4-(3-methylbutylthio)-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-nitrobenzamide IUPAC Name: N-methyl-4-(3-methylbutylsulfanyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-methyl-N-[4-(methylcarbamoyl)benzyl]-3-nitro-benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-15(2)11-12-30-20-10-9-18(13-19(20)25(28)29)22(27)24(4)14-16-5-7-17(8-6-16)21(26)23-3/h5-10,13,15H,11-12,14H2,1-4H3,(H,23,26)