S-[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl] 4-phenoxybenzenecarbothioate

Systemtic Name: S-[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl] 4-phenoxybenzenecarbothioate Openeye Name: S-[3-(2-chlorophenyl)-4-oxo-quinazolin-2-yl] 4-phenoxybenzenecarbothioate CAS Name: 4-phenoxybenzenecarbothioic acid S-[3-(2-chlorophenyl)-4-oxo-2-quinazolinyl] ester IUPAC Name: S-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl] 4-phenoxybenzenecarbothioate Traditional Name: 4-phenoxythiobenzoic acid S-[3-(2-chlorophenyl)-4-keto-quinazolin-2-yl] ester Formula: C27H17ClN2O3S MolecularWeight: 484.95348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5Cl

InChI

InChI=1S/C27H17ClN2O3S/c28-22-11-5-7-13-24(22)30-25(31)21-10-4-6-12-23(21)29-27(30)34-26(32)18-14-16-20(17-15-18)33-19-8-2-1-3-9-19/h1-17H