[4-[(E)-N-[2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-C-methyl-carbonimidoyl]phenyl] ethanoate

Systemtic Name: [4-[(E)-N-[2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-C-methyl-carbonimidoyl]phenyl] ethanoate Openeye Name: [4-[(E)-N-[[2-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-C-methyl-carbonimidoyl]phenyl] acetate CAS Name: acetic acid [4-[(1E)-1-[[2-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]hydrazinylidene]ethyl]phenyl] ester IUPAC Name: [4-[(E)-N-[[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate Traditional Name: acetic acid [4-[(E)-N-[[2-[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]acetyl]amino]-C-methyl-carbonimidoyl]phenyl] ester Formula: C27H24N4O5S MolecularWeight: 516.56826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC(=O)C

Isomeric SMILES

C/C(=N\NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC)/C4=CC=C(C=C4)OC(=O)C

InChI

InChI=1S/C27H24N4O5S/c1-17(19-8-12-22(13-9-19)36-18(2)32)29-30-25(33)16-37-27-28-24-7-5-4-6-23(24)26(34)31(27)20-10-14-21(35-3)15-11-20/h4-15H,16H2,1-3H3,(H,30,33)/b29-17+