N-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-[2-(2-chloroanilino)-2-oxo-ethyl]-4-isopentylsulfanyl-N-methyl-3-nitro-benzamide CAS Name: N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-[2-(2-chloroanilino)-2-keto-ethyl]-4-(isoamylthio)-N-methyl-3-nitro-benzamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)N(C)CC(=O)NC2=CC=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N(C)CC(=O)NC2=CC=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN3O4S/c1-14(2)10-11-30-19-9-8-15(12-18(19)25(28)29)21(27)24(3)13-20(26)23-17-7-5-4-6-16(17)22/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,26)