N-[[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: N-[[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[3-chloro-2-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C27H27ClN4O2S MolecularWeight: 507.04688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H27ClN4O2S/c1-18-6-10-20(11-7-18)25(33)30-27(35)29-23-5-3-4-22(28)24(23)31-14-16-32(17-15-31)26(34)21-12-8-19(2)9-13-21/h3-13H,14-17H2,1-2H3,(H2,29,30,33,35)