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

Systemtic Name: N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C27H27ClN4O2S MolecularWeight: 507.04688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27ClN4O2S/c1-2-25(33)32-16-14-31(15-17-32)24-13-12-22(28)18-23(24)29-27(35)30-26(34)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-13,18H,2,14-17H2,1H3,(H2,29,30,34,35)