N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-3-methyl-butyramide Formula: C16H22ClN3OS MolecularWeight: 339.88338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3OS/c1-11(2)10-14(21)19-16(22)18-13-7-5-6-12(17)15(13)20-8-3-4-9-20/h5-7,11H,3-4,8-10H2,1-2H3,(H2,18,19,21,22)