S-[[5-cyano-4-(4-ethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]methyl] N-(4-bromophenyl)carbamothioate

Systemtic Name: S-[[5-cyano-4-(4-ethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]methyl] N-(4-bromophenyl)carbamothioate Openeye Name: S-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]methyl] N-(4-bromophenyl)carbamothioate CAS Name: N-(4-bromophenyl)carbamothioic acid S-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]methyl] ester IUPAC Name: S-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]methyl] N-(4-bromophenyl)carbamothioate Traditional Name: N-(4-bromophenyl)thiocarbamic acid S-[(5-cyano-2-keto-4-p-phenetyl-3,4-dihydro-1H-pyridin-6-yl)methyl] ester Formula: C22H20BrN3O3S MolecularWeight: 486.3815

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)CSC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)CSC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H20BrN3O3S/c1-2-29-17-9-3-14(4-10-17)18-11-21(27)26-20(19(18)12-24)13-30-22(28)25-16-7-5-15(23)6-8-16/h3-10,18H,2,11,13H2,1H3,(H,25,28)(H,26,27)