ethyl 2-[7-[methyl-(phenylmethyl)carbamoyl]-4-oxidanylidene-3-pentyl-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[7-[methyl-(phenylmethyl)carbamoyl]-4-oxidanylidene-3-pentyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-[benzyl(methyl)carbamoyl]-4-oxo-3-pentyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[[methyl-(phenylmethyl)amino]-oxomethyl]-4-oxo-3-pentyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[benzyl(methyl)carbamoyl]-4-oxo-3-pentylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-amyl-7-[benzyl(methyl)carbamoyl]-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=CC=C3)N=C1SCC(=O)OCC

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=CC=C3)N=C1SCC(=O)OCC

InChI

InChI=1S/C26H31N3O4S/c1-4-6-10-15-29-25(32)21-14-13-20(24(31)28(3)17-19-11-8-7-9-12-19)16-22(21)27-26(29)34-18-23(30)33-5-2/h7-9,11-14,16H,4-6,10,15,17-18H2,1-3H3