N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]propanamide

Systemtic Name: N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]propanamide CAS Name: N-[[4-(1-pyrrolidinylmethyl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-(pyrrolidinomethyl)phenyl]thiocarbamoyl]propionamide Formula: C15H21N3OS MolecularWeight: 291.41174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=C(C=C1)CN2CCCC2

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)CN2CCCC2

InChI

InChI=1S/C15H21N3OS/c1-2-14(19)17-15(20)16-13-7-5-12(6-8-13)11-18-9-3-4-10-18/h5-8H,2-4,9-11H2,1H3,(H2,16,17,19,20)