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

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]propanamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]propanamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]propanamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]propionamide Formula: C14H18ClN3OS MolecularWeight: 311.83022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3OS/c1-2-12(19)17-14(20)16-11-7-5-6-10(15)13(11)18-8-3-4-9-18/h5-7H,2-4,8-9H2,1H3,(H2,16,17,19,20)