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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrNO2S/c1-2-3-4-5-6-7-12-20-17(21)11-13-23-18(22)15-9-8-10-16(19)14-15/h8-11,13-14H,2-7,12H2,1H3,(H,20,21)/b13-11+