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

Systemtic Name: N-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-[2-(3-methoxyanilino)-2-oxo-ethyl]-N-methyl-3-nitro-benzamide CAS Name: N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-[2-keto-2-(m-anisidino)ethyl]-N-methyl-3-nitro-benzamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-15(2)10-11-31-20-9-8-16(12-19(20)25(28)29)22(27)24(3)14-21(26)23-17-6-5-7-18(13-17)30-4/h5-9,12-13,15H,10-11,14H2,1-4H3,(H,23,26)