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

Systemtic Name: N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]propanamide Openeye Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]propanamide CAS Name: N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]propanamide Traditional Name: N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]propionamide Formula: C17H23ClN4O2S MolecularWeight: 382.90812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN4O2S/c1-3-15(23)20-17(25)19-13-11-12(18)5-6-14(13)21-7-9-22(10-8-21)16(24)4-2/h5-6,11H,3-4,7-10H2,1-2H3,(H2,19,20,23,25)