methyl 4-[5-[(2-methoxyphenyl)carbamoyl]-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate

Systemtic Name: methyl 4-[5-[(2-methoxyphenyl)carbamoyl]-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Openeye Name: methyl 4-[5-[(2-methoxyphenyl)carbamoyl]-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoate CAS Name: 4-[5-[(2-methoxyanilino)-oxomethyl]-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(2-methoxyphenyl)carbamoyl]-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Traditional Name: 4-[5-[(2-methoxyphenyl)carbamoyl]-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C27H25N3O4S/c1-17-23(25(31)28-21-11-7-8-12-22(21)33-2)24(18-13-15-19(16-14-18)26(32)34-3)29-27(35)30(17)20-9-5-4-6-10-20/h4-16,24H,1-3H3,(H,28,31)(H,29,35)