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

Systemtic Name: N-[[2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: N-[[2-[4-(4-chlorobenzoyl)piperazino]phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C26H25ClN4O3S MolecularWeight: 509.0197

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H25ClN4O3S/c1-34-21-12-8-18(9-13-21)24(32)29-26(35)28-22-4-2-3-5-23(22)30-14-16-31(17-15-30)25(33)19-6-10-20(27)11-7-19/h2-13H,14-17H2,1H3,(H2,28,29,32,35)