N-methyl-4-(3-methylbutylsulfanyl)-3-nitro-N-(2-oxidanylidene-2-phenylazanyl-ethyl)benzamide

Systemtic Name: N-methyl-4-(3-methylbutylsulfanyl)-3-nitro-N-(2-oxidanylidene-2-phenylazanyl-ethyl)benzamide Openeye Name: N-(2-anilino-2-oxo-ethyl)-4-isopentylsulfanyl-N-methyl-3-nitro-benzamide CAS Name: N-(2-anilino-2-oxoethyl)-N-methyl-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(2-anilino-2-oxoethyl)-N-methyl-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(2-anilino-2-keto-ethyl)-4-(isoamylthio)-N-methyl-3-nitro-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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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=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-15(2)11-12-29-19-10-9-16(13-18(19)24(27)28)21(26)23(3)14-20(25)22-17-7-5-4-6-8-17/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,25)