2-[3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)-2-phenyl-ethanamide

Systemtic Name: 2-[3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)-2-phenyl-ethanamide Openeye Name: 2-[3-(3-chloro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)-2-phenyl-acetamide CAS Name: 2-[[3-(3-chloro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(3,5-dimethylphenyl)-2-phenylacetamide IUPAC Name: 2-[3-(3-chloro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)-2-phenylacetamide Traditional Name: 2-[[3-(3-chloro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(3,5-dimethylphenyl)-2-phenyl-acetamide Formula: C31H26ClN3O2S MolecularWeight: 540.07504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C4=CC=CC=C4)C(=O)NC5=CC(=CC(=C5)C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C4=CC=CC=C4)C(=O)NC5=CC(=CC(=C5)C)C)Cl

InChI

InChI=1S/C31H26ClN3O2S/c1-19-15-20(2)17-23(16-19)33-29(36)28(22-9-5-4-6-10-22)38-31-34-27-12-8-7-11-25(27)30(37)35(31)24-14-13-21(3)26(32)18-24/h4-18,28H,1-3H3,(H,33,36)