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

Systemtic Name: ethyl 2-[7-[methyl-(phenylmethyl)carbamoyl]-4-oxidanylidene-3-phenyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-[benzyl(methyl)carbamoyl]-4-oxo-3-phenyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[[methyl-(phenylmethyl)amino]-oxomethyl]-4-oxo-3-phenyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[benzyl(methyl)carbamoyl]-4-oxo-3-phenylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-[benzyl(methyl)carbamoyl]-4-keto-3-phenyl-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N(C)CC3=CC=CC=C3)C(=O)N1C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N(C)CC3=CC=CC=C3)C(=O)N1C4=CC=CC=C4

InChI

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