S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] quinoline-2-carbothioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] quinoline-2-carbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] quinoline-2-carbothioate CAS Name: 2-quinolinecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] quinoline-2-carbothioate Traditional Name: quinoline-2-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=NC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1=NC2=CC=CC=C2C=C1

InChI

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