methyl 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-butyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[4-[4-(3-chlorophenyl)-1-piperazinyl]-4-oxobutyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[4-[4-(3-chlorophenyl)piperazino]-4-keto-butyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C24H25ClN4O4S MolecularWeight: 500.9977

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H25ClN4O4S/c1-33-23(32)16-7-8-19-20(14-16)26-24(34)29(22(19)31)9-3-6-21(30)28-12-10-27(11-13-28)18-5-2-4-17(25)15-18/h2,4-5,7-8,14-15H,3,6,9-13H2,1H3,(H,26,34)