methyl 2-[[(4R,5R)-4-(3-bromophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[(4R,5R)-4-(3-bromophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[(4R,5R)-4-(3-bromophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carbonyl]amino]benzoate CAS Name: 2-[[[(4R,5R)-4-(3-bromophenyl)-6-methylene-2-sulfanylidene-1,3-diazinan-5-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(4R,5R)-4-(3-bromophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carbonyl]amino]benzoate Traditional Name: 2-[[(4R,5R)-4-(3-bromophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carbonyl]amino]benzoic acid methyl ester Formula: C20H18BrN3O3S MolecularWeight: 460.34422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2C(NC(=S)NC2=C)C3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)[C@@H]2[C@@H](NC(=S)NC2=C)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H18BrN3O3S/c1-11-16(17(24-20(28)22-11)12-6-5-7-13(21)10-12)18(25)23-15-9-4-3-8-14(15)19(26)27-2/h3-10,16-17H,1H2,2H3,(H,23,25)(H2,22,24,28)/t16-,17-/m0/s1