methyl 4-[[[3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[3-(2,3-dimethylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[[3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[3-(2,3-dimethylphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N(C)CC4=CC=C(C=C4)C(=O)OC)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N(C)CC4=CC=C(C=C4)C(=O)OC)NC2=S)C

InChI

InChI=1S/C27H25N3O4S/c1-16-6-5-7-23(17(16)2)30-25(32)21-13-12-20(14-22(21)28-27(30)35)24(31)29(3)15-18-8-10-19(11-9-18)26(33)34-4/h5-14H,15H2,1-4H3,(H,28,35)