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

Systemtic Name: 4-methyl-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Openeye Name: 4-methyl-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide CAS Name: 4-methyl-N-[[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: 4-methyl-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-4-methyl-valeramide Formula: C21H32N4O2S MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O2S/c1-15(2)5-10-19(26)23-21(28)22-17-6-8-18(9-7-17)24-11-13-25(14-12-24)20(27)16(3)4/h6-9,15-16H,5,10-14H2,1-4H3,(H2,22,23,26,28)