methyl 4-oxidanylidene-3-[2-oxidanylidene-2-[2-(4-phenylpiperazin-1-yl)ethylamino]ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-[2-oxidanylidene-2-[2-(4-phenylpiperazin-1-yl)ethylamino]ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)ethylamino]ethyl]-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[2-oxo-2-[2-(4-phenyl-1-piperazinyl)ethylamino]ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)ethylamino]ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[2-keto-2-[2-(4-phenylpiperazino)ethylamino]ethyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC(=O)NCCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC(=O)NCCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O4S/c1-33-23(32)17-7-8-19-20(15-17)26-24(34)29(22(19)31)16-21(30)25-9-10-27-11-13-28(14-12-27)18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3,(H,25,30)(H,26,34)