N-[[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-(4-pivaloylpiperazino)phenyl]thiocarbamoyl]hexanamide Formula: C22H34N4O2S MolecularWeight: 418.59596

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O2S/c1-5-6-7-8-19(27)24-21(29)23-17-9-11-18(12-10-17)25-13-15-26(16-14-25)20(28)22(2,3)4/h9-12H,5-8,13-16H2,1-4H3,(H2,23,24,27,29)