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

Systemtic Name: N-[(3-phenoxyphenyl)carbamothioyl]-2-pyrrolidin-1-yl-pyridine-3-carboxamide Openeye Name: N-[(3-phenoxyphenyl)carbamothioyl]-2-pyrrolidin-1-yl-pyridine-3-carboxamide CAS Name: N-[(3-phenoxyanilino)-sulfanylidenemethyl]-2-(1-pyrrolidinyl)-3-pyridinecarboxamide IUPAC Name: N-[(3-phenoxyphenyl)carbamothioyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide Traditional Name: N-[(3-phenoxyphenyl)thiocarbamoyl]-2-pyrrolidino-nicotinamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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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)OC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=N2)C(=O)NC(=S)NC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2S/c28-22(20-12-7-13-24-21(20)27-14-4-5-15-27)26-23(30)25-17-8-6-11-19(16-17)29-18-9-2-1-3-10-18/h1-3,6-13,16H,4-5,14-15H2,(H2,25,26,28,30)