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

Systemtic Name: N-[[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]hexanamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O2S/c1-3-4-5-6-23(30)27-25(32)26-21-11-13-22(14-12-21)28-15-17-29(18-16-28)24(31)20-9-7-19(2)8-10-20/h7-14H,3-6,15-18H2,1-2H3,(H2,26,27,30,32)