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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 2-bromanylbenzenecarbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 2-bromobenzenecarbothioate CAS Name: 2-bromobenzenecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 2-bromobenzenecarbothioate Traditional Name: 2-bromothiobenzoic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C18H24BrNO2S MolecularWeight: 398.35766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C18H24BrNO2S/c1-2-3-4-5-6-9-13-20-17(21)12-14-23-18(22)15-10-7-8-11-16(15)19/h7-8,10-12,14H,2-6,9,13H2,1H3,(H,20,21)/b14-12+