N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-(4-isovalerylpiperazino)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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O2S/c1-4-5-6-7-20(27)24-22(29)23-18-8-10-19(11-9-18)25-12-14-26(15-13-25)21(28)16-17(2)3/h8-11,17H,4-7,12-16H2,1-3H3,(H2,23,24,27,29)