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

Systemtic Name: N-[[2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]propanamide Openeye Name: N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide CAS Name: N-[[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide Traditional Name: N-[[2-[4-(4-chlorobenzoyl)piperazino]phenyl]thiocarbamoyl]propionamide Formula: C21H23ClN4O2S MolecularWeight: 430.95092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN4O2S/c1-2-19(27)24-21(29)23-17-5-3-4-6-18(17)25-11-13-26(14-12-25)20(28)15-7-9-16(22)10-8-15/h3-10H,2,11-14H2,1H3,(H2,23,24,27,29)