N-[4-[1-(diphenylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[4-[1-(diphenylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3,3-dimethyl-butanamide Openeye Name: 3,3-dimethyl-N-[4-[1-methyl-2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]butanamide CAS Name: 3,3-dimethyl-N-[4-[[1-oxo-1-(N-phenylanilino)propan-2-yl]thio]phenyl]butanamide IUPAC Name: 3,3-dimethyl-N-[4-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylphenyl]butanamide Traditional Name: N-[4-[[2-keto-1-methyl-2-(N-phenylanilino)ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)CC(C)(C)C

Isomeric SMILES

CC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)CC(C)(C)C

InChI

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