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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 3-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-[(3-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: 3-(4-chlorobenzyl)-4-keto-N-(2-methoxyethyl)-2-[(3-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C26H23ClN4O5S MolecularWeight: 539.00262

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=C(C=C4)Cl

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H23ClN4O5S/c1-36-12-11-28-24(32)19-7-10-22-23(14-19)29-26(37-16-18-3-2-4-21(13-18)31(34)35)30(25(22)33)15-17-5-8-20(27)9-6-17/h2-10,13-14H,11-12,15-16H2,1H3,(H,28,32)