N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-(4-o-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=CC=C3C

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C25H32N4O2S/c1-3-4-5-10-23(30)27-25(32)26-20-11-13-21(14-12-20)28-15-17-29(18-16-28)24(31)22-9-7-6-8-19(22)2/h6-9,11-14H,3-5,10,15-18H2,1-2H3,(H2,26,27,30,32)