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

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]butanamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]butanamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]butyramide Formula: C15H20ClN3OS MolecularWeight: 325.8568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN3OS/c1-2-6-13(20)18-15(21)17-12-8-5-7-11(16)14(12)19-9-3-4-10-19/h5,7-8H,2-4,6,9-10H2,1H3,(H2,17,18,20,21)