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

Systemtic Name: N-[[3-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[3-chloro-2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[3-chloro-2-(4-methylpiperazino)phenyl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C17H25ClN4OS MolecularWeight: 368.9246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN4OS/c1-17(2,3)15(23)20-16(24)19-13-7-5-6-12(18)14(13)22-10-8-21(4)9-11-22/h5-7H,8-11H2,1-4H3,(H2,19,20,23,24)