S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] quinoline-4-carbothioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] quinoline-4-carbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] quinoline-4-carbothioate CAS Name: 4-quinolinecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] quinoline-4-carbothioate Traditional Name: quinoline-4-carbothioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1=CC=NC2=CC=CC=C12

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1=CC=NC2=CC=CC=C12

InChI

InChI=1S/C21H26N2O2S/c1-2-3-4-5-6-9-14-23-20(24)13-16-26-21(25)18-12-15-22-19-11-8-7-10-17(18)19/h7-8,10-13,15-16H,2-6,9,14H2,1H3,(H,23,24)/b16-13+