4-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)butanamide

Systemtic Name: 4-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)butanamide Openeye Name: 4-[1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-N-(2,4,6-trimethylphenyl)butanamide CAS Name: 4-[[1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]thio]-N-(2,4,6-trimethylphenyl)butanamide IUPAC Name: 4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)butanamide Traditional Name: 4-[[2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]thio]-N-mesityl-butyramide Formula: C26H35N3O2S MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CCCSC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CCCSC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C26H35N3O2S/c1-19-17-20(2)25(21(3)18-19)27-24(30)11-8-16-32-22(4)26(31)29-14-12-28(13-15-29)23-9-6-5-7-10-23/h5-7,9-10,17-18,22H,8,11-16H2,1-4H3,(H,27,30)