methyl 2-[[(4S)-4-(3-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[(4S)-4-(3-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[(4S)-4-(3-bromophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate CAS Name: 2-[[[(4S)-4-(3-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(4S)-4-(3-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate Traditional Name: 2-[[(4S)-4-(3-bromophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoic acid methyl ester Formula: C20H18BrN3O3S MolecularWeight: 460.34422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)Br)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1)C2=CC(=CC=C2)Br)C(=O)NC3=CC=CC=C3C(=O)OC

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/h3-10,17H,1-2H3,(H,23,25)(H2,22,24,28)/t17-/m0/s1