N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]acetamide Formula: C29H22ClN3O2S2 MolecularWeight: 544.08688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4SC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4SC5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H22ClN3O2S2/c1-19-8-2-6-12-25(19)33-28(35)22-9-3-4-10-23(22)32-29(33)36-18-27(34)31-24-11-5-7-13-26(24)37-21-16-14-20(30)15-17-21/h2-17H,18H2,1H3,(H,31,34)