N-[[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Openeye Name: N-[[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide CAS Name: N-[[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]pentanamide Traditional Name: N-[[5-chloro-2-(4-isovalerylpiperazino)phenyl]thiocarbamoyl]valeramide Formula: C21H31ClN4O2S MolecularWeight: 439.01444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN4O2S/c1-4-5-6-19(27)24-21(29)23-17-14-16(22)7-8-18(17)25-9-11-26(12-10-25)20(28)13-15(2)3/h7-8,14-15H,4-6,9-13H2,1-3H3,(H2,23,24,27,29)