2-[4-[2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[4-[2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[4-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxo-ethyl]piperazin-1-yl]-N-isobutyl-acetamide CAS Name: 2-[4-[2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-oxoethyl]-1-piperazinyl]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide Traditional Name: 2-[4-[2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-keto-ethyl]piperazino]-N-isobutyl-acetamide Formula: C26H36N4O2S MolecularWeight: 468.65464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)CN3CCN(CC3)CC(=O)NCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)CN3CCN(CC3)CC(=O)NCC(C)C

InChI

InChI=1S/C26H36N4O2S/c1-19(2)16-27-25(31)17-29-11-13-30(14-12-29)18-26(32)28-22-7-9-23(10-8-22)33-24-15-20(3)5-6-21(24)4/h5-10,15,19H,11-14,16-18H2,1-4H3,(H,27,31)(H,28,32)