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

Systemtic Name: N-[[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide CAS Name: N-[[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]propionamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S/c1-3-20(27)24-22(29)23-18-8-10-19(11-9-18)25-12-14-26(15-13-25)21(28)17-6-4-16(2)5-7-17/h4-11H,3,12-15H2,1-2H3,(H2,23,24,27,29)