N-[[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide

Systemtic Name: N-[[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-(4-benzoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]propanamide CAS Name: N-[[4-(4-benzoyl-1-piperazinyl)-3-chloroanilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]propanamide Traditional Name: N-[[4-(4-benzoylpiperazino)-3-chloro-phenyl]thiocarbamoyl]propionamide Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)Cl

InChI

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