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

Systemtic Name: 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-butyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylic acid CAS Name: 3-[4-[4-(3-chlorophenyl)-1-piperazinyl]-4-oxobutyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid IUPAC Name: 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Traditional Name: 3-[4-[4-(3-chlorophenyl)piperazino]-4-keto-butyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid Formula: C23H23ClN4O4S MolecularWeight: 486.97112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCN3C(=O)C4=C(C=C(C=C4)C(=O)O)NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCN3C(=O)C4=C(C=C(C=C4)C(=O)O)NC3=S

InChI

InChI=1S/C23H23ClN4O4S/c24-16-3-1-4-17(14-16)26-9-11-27(12-10-26)20(29)5-2-8-28-21(30)18-7-6-15(22(31)32)13-19(18)25-23(28)33/h1,3-4,6-7,13-14H,2,5,8-12H2,(H,25,33)(H,31,32)