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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-isobutyl-N-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(4-chlorophenyl)methylthio]-N-(2-methoxyethyl)-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(4-chlorobenzyl)thio]-3-isobutyl-4-keto-N-(2-methoxyethyl)quinazoline-7-carboxamide Formula: C23H26ClN3O3S MolecularWeight: 459.98884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCOC)N=C1SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCOC)N=C1SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H26ClN3O3S/c1-15(2)13-27-22(29)19-9-6-17(21(28)25-10-11-30-3)12-20(19)26-23(27)31-14-16-4-7-18(24)8-5-16/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,25,28)