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

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C16H22ClN3OS MolecularWeight: 339.88338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=C(C(=CC=C1)Cl)N2CCCC2

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=C(C(=CC=C1)Cl)N2CCCC2

InChI

InChI=1S/C16H22ClN3OS/c1-16(2,3)14(21)19-15(22)18-12-8-6-7-11(17)13(12)20-9-4-5-10-20/h6-8H,4-5,9-10H2,1-3H3,(H2,18,19,21,22)