N-(3-chlorophenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-(3-chlorophenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-(3-chlorophenyl)-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-(3-chlorophenyl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(3-chlorophenyl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(3-chlorophenyl)-4-(isoamylthio)-3-nitro-benzamide Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN2O3S/c1-12(2)8-9-25-17-7-6-13(10-16(17)21(23)24)18(22)20-15-5-3-4-14(19)11-15/h3-7,10-12H,8-9H2,1-2H3,(H,20,22)