2-[(4-chlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(4-chlorophenyl)methylthio]-N-(2-methoxyethyl)-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: 2-[(4-chlorobenzyl)thio]-4-keto-N-(2-methoxyethyl)-3-phenethyl-quinazoline-7-carboxamide Formula: C27H26ClN3O3S MolecularWeight: 508.03164

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)CCC4=CC=CC=C4

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C27H26ClN3O3S/c1-34-16-14-29-25(32)21-9-12-23-24(17-21)30-27(35-18-20-7-10-22(28)11-8-20)31(26(23)33)15-13-19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H,29,32)