N-[(4-pentylphenyl)carbamothioyl]quinoline-3-carboxamide

Systemtic Name: N-[(4-pentylphenyl)carbamothioyl]quinoline-3-carboxamide Openeye Name: N-[(4-pentylphenyl)carbamothioyl]quinoline-3-carboxamide CAS Name: N-[(4-pentylanilino)-sulfanylidenemethyl]-3-quinolinecarboxamide IUPAC Name: N-[(4-pentylphenyl)carbamothioyl]quinoline-3-carboxamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]quinoline-3-carboxamide Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C22H23N3OS/c1-2-3-4-7-16-10-12-19(13-11-16)24-22(27)25-21(26)18-14-17-8-5-6-9-20(17)23-15-18/h5-6,8-15H,2-4,7H2,1H3,(H2,24,25,26,27)