N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Openeye Name: N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide CAS Name: N-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Traditional Name: N-[[2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]valeramide Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=CC=C1N2CCN(CC2)C(=O)C(C)C

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=CC=C1N2CCN(CC2)C(=O)C(C)C

InChI

InChI=1S/C20H30N4O2S/c1-4-5-10-18(25)22-20(27)21-16-8-6-7-9-17(16)23-11-13-24(14-12-23)19(26)15(2)3/h6-9,15H,4-5,10-14H2,1-3H3,(H2,21,22,25,27)