[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OC(C)C(=O)N3CCCCCC3

InChI

InChI=1S/C25H30N2O4S/c1-18-11-13-20(14-12-18)26-23(28)17-32-22-10-6-5-9-21(22)25(30)31-19(2)24(29)27-15-7-3-4-8-16-27/h5-6,9-14,19H,3-4,7-8,15-17H2,1-2H3,(H,26,28)