3,3-dimethyl-N-[4-[2-[(2-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]butanamide

Systemtic Name: 3,3-dimethyl-N-[4-[2-[(2-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]butanamide Openeye Name: 3,3-dimethyl-N-[4-[2-(2-methylanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]butanamide CAS Name: 3,3-dimethyl-N-[4-[[2-(2-methylanilino)-2-oxo-1-phenylethyl]thio]phenyl]butanamide IUPAC Name: 3,3-dimethyl-N-[4-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide Traditional Name: N-[4-[[2-keto-2-(o-toluidino)-1-phenyl-ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)CC(C)(C)C

InChI

InChI=1S/C27H30N2O2S/c1-19-10-8-9-13-23(19)29-26(31)25(20-11-6-5-7-12-20)32-22-16-14-21(15-17-22)28-24(30)18-27(2,3)4/h5-17,25H,18H2,1-4H3,(H,28,30)(H,29,31)