N-[[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]propanamide

Systemtic Name: N-[[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]propanamide Openeye Name: N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide CAS Name: N-[[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide Traditional Name: N-[[3-chloro-2-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]propionamide Formula: C22H25ClN4O2S MolecularWeight: 444.9775

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O2S/c1-3-19(28)25-22(30)24-18-6-4-5-17(23)20(18)26-11-13-27(14-12-26)21(29)16-9-7-15(2)8-10-16/h4-10H,3,11-14H2,1-2H3,(H2,24,25,28,30)