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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] benzenecarbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C18H25NO2S MolecularWeight: 319.4616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO2S/c1-2-3-4-5-6-10-14-19-17(20)13-15-22-18(21)16-11-8-7-9-12-16/h7-9,11-13,15H,2-6,10,14H2,1H3,(H,19,20)/b15-13+