N-[(3-phenylmethoxyphenyl)carbamothioyl]-2-pyrrolidin-1-yl-pyridine-3-carboxamide

Systemtic Name: N-[(3-phenylmethoxyphenyl)carbamothioyl]-2-pyrrolidin-1-yl-pyridine-3-carboxamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-2-pyrrolidin-1-yl-pyridine-3-carboxamide CAS Name: N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]-2-(1-pyrrolidinyl)-3-pyridinecarboxamide IUPAC Name: N-[(3-phenylmethoxyphenyl)carbamothioyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-2-pyrrolidino-nicotinamide Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=N2)C(=O)NC(=S)NC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=N2)C(=O)NC(=S)NC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H24N4O2S/c29-23(21-12-7-13-25-22(21)28-14-4-5-15-28)27-24(31)26-19-10-6-11-20(16-19)30-17-18-8-2-1-3-9-18/h1-3,6-13,16H,4-5,14-15,17H2,(H2,26,27,29,31)