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

Systemtic Name: N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylthio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-4-keto-N-(2-methoxyethyl)-2-[(4-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C26H24N4O5S MolecularWeight: 504.55756

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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)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O5S/c1-35-14-13-27-24(31)20-9-12-22-23(15-20)28-26(29(25(22)32)16-18-5-3-2-4-6-18)36-17-19-7-10-21(11-8-19)30(33)34/h2-12,15H,13-14,16-17H2,1H3,(H,27,31)