2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-2-methyl-pyridine-3-carboxamide CAS Name: 2-methyl-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-2-methyl-nicotinamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=N1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O2S/c1-15-19(11-6-12-22-15)20(25)24-21(27)23-17-9-5-10-18(13-17)26-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H2,23,24,25,27)