methyl 3-[bis(2-phenylethanoyl)amino]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[bis(2-phenylethanoyl)amino]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[bis(2-phenylacetyl)amino]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[bis(1-oxo-2-phenylethyl)amino]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[bis(2-phenylacetyl)amino]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[bis(2-phenylacetyl)amino]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C26H21N3O5S MolecularWeight: 487.52704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)N(C(=O)CC3=CC=CC=C3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)N(C(=O)CC3=CC=CC=C3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H21N3O5S/c1-34-25(33)19-12-13-20-21(16-19)27-26(35)29(24(20)32)28(22(30)14-17-8-4-2-5-9-17)23(31)15-18-10-6-3-7-11-18/h2-13,16H,14-15H2,1H3,(H,27,35)