S-[(E)-3-(2,5-dimethylhexan-2-ylamino)-3-oxidanylidene-prop-1-enyl] benzenecarbothioate

Systemtic Name: S-[(E)-3-(2,5-dimethylhexan-2-ylamino)-3-oxidanylidene-prop-1-enyl] benzenecarbothioate Openeye Name: S-[(E)-3-oxo-3-(1,1,4-trimethylpentylamino)prop-1-enyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(E)-3-(2,5-dimethylhexan-2-ylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(2,5-dimethylhexan-2-ylamino)-3-oxoprop-1-enyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(E)-3-keto-3-(1,1,4-trimethylpentylamino)prop-1-enyl] ester Formula: C18H25NO2S MolecularWeight: 319.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)(C)NC(=O)C=CSC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)CCC(C)(C)NC(=O)/C=C/SC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H25NO2S/c1-14(2)10-12-18(3,4)19-16(20)11-13-22-17(21)15-8-6-5-7-9-15/h5-9,11,13-14H,10,12H2,1-4H3,(H,19,20)/b13-11+