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

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]butanamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]butanamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]butanamide Traditional Name: N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]butyramide Formula: C15H20ClN3OS MolecularWeight: 325.8568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN3OS/c1-2-5-14(20)18-15(21)17-11-6-7-13(12(16)10-11)19-8-3-4-9-19/h6-7,10H,2-5,8-9H2,1H3,(H2,17,18,20,21)