4-[[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[3-[(2-chlorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[3-[(2-chlorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[3-(2-chlorobenzyl)-4-keto-quinazolin-2-yl]thio]methyl]-3-nitro-benzamide Formula: C23H17ClN4O4S MolecularWeight: 480.92348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H17ClN4O4S/c24-18-7-3-1-5-15(18)12-27-22(30)17-6-2-4-8-19(17)26-23(27)33-13-16-10-9-14(21(25)29)11-20(16)28(31)32/h1-11H,12-13H2,(H2,25,29)