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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 4-isothiocyanatobenzenecarbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 4-isothiocyanatobenzenecarbothioate CAS Name: 4-isothiocyanatobenzenecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 4-isothiocyanatobenzenecarbothioate Traditional Name: 4-isothiocyanatothiobenzoic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O2S2/c1-2-3-4-5-6-7-13-20-18(22)12-14-25-19(23)16-8-10-17(11-9-16)21-15-24/h8-12,14H,2-7,13H2,1H3,(H,20,22)/b14-12+