4-[2-(2-chlorophenyl)sulfanyl-4-oxidanylidene-quinazolin-3-yl]benzoic acid; piperazine

Systemtic Name: 4-[2-(2-chlorophenyl)sulfanyl-4-oxidanylidene-quinazolin-3-yl]benzoic acid; piperazine Openeye Name: 4-[2-(2-chlorophenyl)sulfanyl-4-oxo-quinazolin-3-yl]benzoic acid; piperazine CAS Name: 4-[2-[(2-chlorophenyl)thio]-4-oxo-3-quinazolinyl]benzoic acid; piperazine IUPAC Name: 4-[2-(2-chlorophenyl)sulfanyl-4-oxoquinazolin-3-yl]benzoic acid; piperazine Traditional Name: 4-[2-[(2-chlorophenyl)thio]-4-keto-quinazolin-3-yl]benzoic acid; piperazine Formula: C46H36Cl2N6O6S2 MolecularWeight: 903.85064

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN1.C1=CC=C2C(=C1)C(=O)N(C(=N2)SC3=CC=CC=C3Cl)C4=CC=C(C=C4)C(=O)O.C1=CC=C2C(=C1)C(=O)N(C(=N2)SC3=CC=CC=C3Cl)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CNCCN1.C1=CC=C2C(=C1)C(=O)N(C(=N2)SC3=CC=CC=C3Cl)C4=CC=C(C=C4)C(=O)O.C1=CC=C2C(=C1)C(=O)N(C(=N2)SC3=CC=CC=C3Cl)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/2C21H13ClN2O3S.C4H10N2/c2*22-16-6-2-4-8-18(16)28-21-23-17-7-3-1-5-15(17)19(25)24(21)14-11-9-13(10-12-14)20(26)27;1-2-6-4-3-5-1/h2*1-12H,(H,26,27);5-6H,1-4H2