methyl 4-[5-(diethylcarbamoyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate

Systemtic Name: methyl 4-[5-(diethylcarbamoyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Openeye Name: methyl 4-[5-(diethylcarbamoyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoate CAS Name: 4-[5-[diethylamino(oxo)methyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(diethylcarbamoyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Traditional Name: 4-[5-(diethylcarbamoyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)C(=O)OC)C)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)C(=O)OC)C)C

InChI

InChI=1S/C19H25N3O3S/c1-6-22(7-2)17(23)15-12(3)21(4)19(26)20-16(15)13-8-10-14(11-9-13)18(24)25-5/h8-11,16H,6-7H2,1-5H3,(H,20,26)