3-methoxy-N-[(4-pentylphenyl)carbamothioyl]furo[3,2-b]pyridine-2-carboxamide

Systemtic Name: 3-methoxy-N-[(4-pentylphenyl)carbamothioyl]furo[3,2-b]pyridine-2-carboxamide Openeye Name: 3-methoxy-N-[(4-pentylphenyl)carbamothioyl]furo[3,2-b]pyridine-2-carboxamide CAS Name: 3-methoxy-N-[(4-pentylanilino)-sulfanylidenemethyl]-2-furo[3,2-b]pyridinecarboxamide IUPAC Name: 3-methoxy-N-[(4-pentylphenyl)carbamothioyl]furo[3,2-b]pyridine-2-carboxamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]-3-methoxy-furo[3,2-b]pyridine-2-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=C(O2)C=CC=N3)OC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=C(O2)C=CC=N3)OC

InChI

InChI=1S/C21H23N3O3S/c1-3-4-5-7-14-9-11-15(12-10-14)23-21(28)24-20(25)19-18(26-2)17-16(27-19)8-6-13-22-17/h6,8-13H,3-5,7H2,1-2H3,(H2,23,24,25,28)