2,2-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]propanamide Openeye Name: 2,2-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]propanamide CAS Name: 2,2-dimethyl-N-[[4-(1-pyrrolidinylmethyl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 2,2-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]propanamide Traditional Name: 2,2-dimethyl-N-[[4-(pyrrolidinomethyl)phenyl]thiocarbamoyl]propionamide Formula: C17H25N3OS MolecularWeight: 319.4649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3OS/c1-17(2,3)15(21)19-16(22)18-14-8-6-13(7-9-14)12-20-10-4-5-11-20/h6-9H,4-5,10-12H2,1-3H3,(H2,18,19,21,22)