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

Systemtic Name: N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[3-chloro-2-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[3-chloro-2-(4-ethylpiperazino)phenyl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C18H27ClN4OS MolecularWeight: 382.95118

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C(C)(C)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C(C)(C)C

InChI

InChI=1S/C18H27ClN4OS/c1-5-22-9-11-23(12-10-22)15-13(19)7-6-8-14(15)20-17(25)21-16(24)18(2,3)4/h6-8H,5,9-12H2,1-4H3,(H2,20,21,24,25)