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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 3-cyanobenzenecarbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 3-cyanobenzenecarbothioate CAS Name: 3-cyanobenzenecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 3-cyanobenzenecarbothioate Traditional Name: 3-cyanothiobenzoic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C19H24N2O2S MolecularWeight: 344.47106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1=CC=CC(=C1)C#N

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C19H24N2O2S/c1-2-3-4-5-6-7-12-21-18(22)11-13-24-19(23)17-10-8-9-16(14-17)15-20/h8-11,13-14H,2-7,12H2,1H3,(H,21,22)/b13-11+