methyl 4-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamoyl]benzoate CAS Name: 4-[[4-[(4,6-dimethyl-2-pyrimidinyl)thio]anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamoyl]benzoate Traditional Name: 4-[[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]carbamoyl]benzoic acid methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C21H19N3O3S/c1-13-12-14(2)23-21(22-13)28-18-10-8-17(9-11-18)24-19(25)15-4-6-16(7-5-15)20(26)27-3/h4-12H,1-3H3,(H,24,25)