N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide CAS Name: N-[(4-pentoxyanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]nicotinamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C18H21N3O2S/c1-2-3-4-12-23-16-9-7-15(8-10-16)20-18(24)21-17(22)14-6-5-11-19-13-14/h5-11,13H,2-4,12H2,1H3,(H2,20,21,22,24)