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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C(C)(C)C

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C(C)(C)C

InChI

InChI=1S/C21H31ClN4O2S/c1-14(2)12-18(27)26-10-8-25(9-11-26)17-7-6-15(22)13-16(17)23-20(29)24-19(28)21(3,4)5/h6-7,13-14H,8-12H2,1-5H3,(H2,23,24,28,29)