N-[[5-chloranyl-2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[[5-chloranyl-2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: N-[[2-(4-benzoylpiperazin-1-yl)-5-chloro-phenyl]carbamothioyl]-3-benzyloxy-benzamide CAS Name: N-[[2-(4-benzoyl-1-piperazinyl)-5-chloroanilino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[[2-(4-benzoylpiperazin-1-yl)-5-chlorophenyl]carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[[2-(4-benzoylpiperazino)-5-chloro-phenyl]thiocarbamoyl]benzamide Formula: C32H29ClN4O3S MolecularWeight: 585.11566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H29ClN4O3S/c33-26-14-15-29(36-16-18-37(19-17-36)31(39)24-10-5-2-6-11-24)28(21-26)34-32(41)35-30(38)25-12-7-13-27(20-25)40-22-23-8-3-1-4-9-23/h1-15,20-21H,16-19,22H2,(H2,34,35,38,41)