4-[[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]-N-cyclopropyl-benzamide

Systemtic Name: 4-[[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]methyl]-N-cyclopropyl-benzamide CAS Name: 4-[[2-[(3-chlorophenyl)methylthio]-4-oxo-3-quinazolinyl]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[2-[(3-chlorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]-N-cyclopropylbenzamide Traditional Name: 4-[[2-[(3-chlorobenzyl)thio]-4-keto-quinazolin-3-yl]methyl]-N-cyclopropyl-benzamide Formula: C26H22ClN3O2S MolecularWeight: 475.98978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C26H22ClN3O2S/c27-20-5-3-4-18(14-20)16-33-26-29-23-7-2-1-6-22(23)25(32)30(26)15-17-8-10-19(11-9-17)24(31)28-21-12-13-21/h1-11,14,21H,12-13,15-16H2,(H,28,31)