methyl 3-[[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[[4-[[2-(1H-indol-3-yl)ethylamino]-oxomethyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[4-[2-(1H-indol-3-yl)ethylcarbamoyl]benzyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C28H24N4O4S MolecularWeight: 512.57956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCCC4=CNC5=CC=CC=C54

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C28H24N4O4S/c1-36-27(35)19-10-11-22-24(14-19)31-28(37)32(26(22)34)16-17-6-8-18(9-7-17)25(33)29-13-12-20-15-30-23-5-3-2-4-21(20)23/h2-11,14-15,30H,12-13,16H2,1H3,(H,29,33)(H,31,37)