N-[(4-pentylphenyl)carbamothioyl]-3-propoxy-pyridine-2-carboxamide

Systemtic Name: N-[(4-pentylphenyl)carbamothioyl]-3-propoxy-pyridine-2-carboxamide Openeye Name: N-[(4-pentylphenyl)carbamothioyl]-3-propoxy-pyridine-2-carboxamide CAS Name: N-[(4-pentylanilino)-sulfanylidenemethyl]-3-propoxy-2-pyridinecarboxamide IUPAC Name: N-[(4-pentylphenyl)carbamothioyl]-3-propoxypyridine-2-carboxamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]-3-propoxy-picolinamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC=N2)OCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC=N2)OCCC

InChI

InChI=1S/C21H27N3O2S/c1-3-5-6-8-16-10-12-17(13-11-16)23-21(27)24-20(25)19-18(26-15-4-2)9-7-14-22-19/h7,9-14H,3-6,8,15H2,1-2H3,(H2,23,24,25,27)