2-[(3-chlorophenyl)methylsulfanyl]-N-(3,5-dimethylphenyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-(3,5-dimethylphenyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-[(3-chlorophenyl)methylsulfanyl]-N-(3,5-dimethylphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N-(3,5-dimethylphenyl)-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(3-chlorophenyl)methylsulfanyl]-N-(3,5-dimethylphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-[(3-chlorobenzyl)thio]-N-(3,5-dimethylphenyl)-4-keto-quinazoline-7-carboxamide Formula: C31H26ClN3O2S MolecularWeight: 540.07504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)Cl)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)Cl)CC5=CC=CC=C5)C

InChI

InChI=1S/C31H26ClN3O2S/c1-20-13-21(2)15-26(14-20)33-29(36)24-11-12-27-28(17-24)34-31(38-19-23-9-6-10-25(32)16-23)35(30(27)37)18-22-7-4-3-5-8-22/h3-17H,18-19H2,1-2H3,(H,33,36)