N-[[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-(4-acetyl-1-piperazinyl)-3-chloroanilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-(4-acetylpiperazino)-3-chloro-phenyl]thiocarbamoyl]hexanamide Formula: C19H27ClN4O2S MolecularWeight: 410.96128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN4O2S/c1-3-4-5-6-18(26)22-19(27)21-15-7-8-17(16(20)13-15)24-11-9-23(10-12-24)14(2)25/h7-8,13H,3-6,9-12H2,1-2H3,(H2,21,22,26,27)