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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] quinoline-3-carbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] quinoline-3-carbothioate CAS Name: 3-quinolinecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] quinoline-3-carbothioate Traditional Name: quinoline-3-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=CC2=CC=CC=C2N=C1

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1=CC2=CC=CC=C2N=C1

InChI

InChI=1S/C21H26N2O2S/c1-2-3-4-5-6-9-13-22-20(24)12-14-26-21(25)18-15-17-10-7-8-11-19(17)23-16-18/h7-8,10-12,14-16H,2-6,9,13H2,1H3,(H,22,24)/b14-12+