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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(2-methoxyethyl)-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(2-methoxyethyl)-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 2-[(4-chlorophenyl)methylthio]-3-(2-methoxyethyl)-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(2-methoxyethyl)-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 2-[(4-chlorobenzyl)thio]-4-keto-3-(2-methoxyethyl)-N-propyl-quinazoline-7-carboxamide Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)CCOC

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)CCOC

InChI

InChI=1S/C22H24ClN3O3S/c1-3-10-24-20(27)16-6-9-18-19(13-16)25-22(26(21(18)28)11-12-29-2)30-14-15-4-7-17(23)8-5-15/h4-9,13H,3,10-12,14H2,1-2H3,(H,24,27)