N-[[4-[4-(5-chloranyl-2-methoxy-phenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[4-[4-(5-chloranyl-2-methoxy-phenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[4-[4-(5-chloro-2-methoxy-benzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[4-[4-[(5-chloro-2-methoxyphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[4-[4-(5-chloro-2-methoxy-benzoyl)piperazino]phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C32H29ClN4O3S MolecularWeight: 585.11566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H29ClN4O3S/c1-40-29-16-11-25(33)21-28(29)31(39)37-19-17-36(18-20-37)27-14-12-26(13-15-27)34-32(41)35-30(38)24-9-7-23(8-10-24)22-5-3-2-4-6-22/h2-16,21H,17-20H2,1H3,(H2,34,35,38,41)