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

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C20H29ClN4O2S MolecularWeight: 424.98786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN4O2S/c1-13(2)17(26)25-10-8-24(9-11-25)16-7-6-14(12-15(16)21)22-19(28)23-18(27)20(3,4)5/h6-7,12-13H,8-11H2,1-5H3,(H2,22,23,27,28)