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

Systemtic Name: 3-chloranyl-N-[[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-chloro-N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-chloro-N-[[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-chloro-N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-chloro-N-[[3-chloro-2-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C27H26Cl2N4O2S MolecularWeight: 541.49194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)C4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)C4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C27H26Cl2N4O2S/c1-17-6-9-19(10-7-17)26(35)33-14-12-32(13-15-33)24-21(28)4-3-5-23(24)30-27(36)31-25(34)20-11-8-18(2)22(29)16-20/h3-11,16H,12-15H2,1-2H3,(H2,30,31,34,36)