methyl 4-[[2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C27H25N3O4S/c1-17-12-18(2)14-21(13-17)30-25(32)22-6-4-5-7-23(22)29-27(30)35-16-24(31)28-15-19-8-10-20(11-9-19)26(33)34-3/h4-14H,15-16H2,1-3H3,(H,28,31)