methyl 4-methyl-3-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

InChI

InChI=1S/C24H27N3O4S/c1-15(2)11-12-27-22(29)18-7-5-6-8-19(18)26-24(27)32-14-21(28)25-20-13-17(23(30)31-4)10-9-16(20)3/h5-10,13,15H,11-12,14H2,1-4H3,(H,25,28)