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

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]hexanamide Openeye Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide CAS Name: N-[[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide Traditional Name: N-[[3-chloro-4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]hexanamide Formula: C25H31ClN4O2S MolecularWeight: 487.05724

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClN4O2S/c1-3-4-5-10-23(31)28-25(33)27-19-11-12-22(21(26)17-19)29-13-15-30(16-14-29)24(32)20-9-7-6-8-18(20)2/h6-9,11-12,17H,3-5,10,13-16H2,1-2H3,(H2,27,28,31,33)