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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H27N3O4S/c1-16(2)12-13-27-22(29)19-6-4-5-7-20(19)26-24(27)32-15-21(28)25-14-17-8-10-18(11-9-17)23(30)31-3/h4-11,16H,12-15H2,1-3H3,(H,25,28)