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

Systemtic Name: N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-[2-(3-fluoroanilino)-2-oxo-ethyl]-4-isopentylsulfanyl-N-methyl-3-nitro-benzamide CAS Name: N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-[2-(3-fluoroanilino)-2-keto-ethyl]-4-(isoamylthio)-N-methyl-3-nitro-benzamide Formula: C21H24FN3O4S MolecularWeight: 433.496363

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O4S/c1-14(2)9-10-30-19-8-7-15(11-18(19)25(28)29)21(27)24(3)13-20(26)23-17-6-4-5-16(22)12-17/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,23,26)