N-[[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenylacetamide Traditional Name: 2-phenyl-N-[[4-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]acetamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2S/c1-20-7-9-22(10-8-20)26(33)31-17-15-30(16-18-31)24-13-11-23(12-14-24)28-27(34)29-25(32)19-21-5-3-2-4-6-21/h2-14H,15-19H2,1H3,(H2,28,29,32,34)