N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(3-chloro-4-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=CC(=C(C=C1)N2CCCC2)Cl

Isomeric SMILES

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

InChI

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