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

Systemtic Name: N-[[2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[2-[4-(4-chlorobenzoyl)piperazino]phenyl]thiocarbamoyl]-2-phenyl-acetamide Formula: C26H25ClN4O2S MolecularWeight: 493.0203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2NC(=S)NC(=O)CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2NC(=S)NC(=O)CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H25ClN4O2S/c27-21-12-10-20(11-13-21)25(33)31-16-14-30(15-17-31)23-9-5-4-8-22(23)28-26(34)29-24(32)18-19-6-2-1-3-7-19/h1-13H,14-18H2,(H2,28,29,32,34)