N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide Openeye Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide CAS Name: N-[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide Traditional Name: N-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]hexanamide Formula: C21H31ClN4O2S MolecularWeight: 439.01444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN4O2S/c1-4-5-6-7-19(27)24-21(29)23-16-8-9-18(17(22)14-16)25-10-12-26(13-11-25)20(28)15(2)3/h8-9,14-15H,4-7,10-13H2,1-3H3,(H2,23,24,27,29)