N-[[5-chloranyl-2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[5-chloranyl-2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[2-(4-benzoylpiperazin-1-yl)-5-chloro-phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[2-(4-benzoyl-1-piperazinyl)-5-chloroanilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-(4-benzoylpiperazin-1-yl)-5-chlorophenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[2-(4-benzoylpiperazino)-5-chloro-phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C23H21ClN4O2S2 MolecularWeight: 485.02144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC=CS3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC=CS3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21ClN4O2S2/c24-17-8-9-19(18(15-17)25-23(31)26-21(29)20-7-4-14-32-20)27-10-12-28(13-11-27)22(30)16-5-2-1-3-6-16/h1-9,14-15H,10-13H2,(H2,25,26,29,31)