N-[(3-cyclopropyl-4-pentoxy-phenyl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[(3-cyclopropyl-4-pentoxy-phenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[(3-cyclopropyl-4-pentoxy-phenyl)carbamothioyl]pyridine-3-carboxamide CAS Name: N-[(3-cyclopropyl-4-pentoxyanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[(3-cyclopropyl-4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[(4-amoxy-3-cyclopropyl-phenyl)thiocarbamoyl]nicotinamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CN=CC=C2)C3CC3

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CN=CC=C2)C3CC3

InChI

InChI=1S/C21H25N3O2S/c1-2-3-4-12-26-19-10-9-17(13-18(19)15-7-8-15)23-21(27)24-20(25)16-6-5-11-22-14-16/h5-6,9-11,13-15H,2-4,7-8,12H2,1H3,(H2,23,24,25,27)