6-[(4-nitrophenyl)methylsulfanyl]-N-(phenylmethyl)benzimidazolo[1,2-c]quinazoline-3-carboxamide

Systemtic Name: 6-[(4-nitrophenyl)methylsulfanyl]-N-(phenylmethyl)benzimidazolo[1,2-c]quinazoline-3-carboxamide Openeye Name: N-benzyl-6-[(4-nitrophenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carboxamide CAS Name: 6-[(4-nitrophenyl)methylthio]-N-(phenylmethyl)-3-benzimidazolo[1,2-c]quinazolinecarboxamide IUPAC Name: N-benzyl-6-[(4-nitrophenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carboxamide Traditional Name: N-benzyl-6-[(4-nitrobenzyl)thio]benzimidazolo[1,2-c]quinazoline-3-carboxamide Formula: C29H21N5O3S MolecularWeight: 519.57374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=N3)SCC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=N3)SCC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C29H21N5O3S/c35-28(30-17-19-6-2-1-3-7-19)21-12-15-23-25(16-21)32-29(33-26-9-5-4-8-24(26)31-27(23)33)38-18-20-10-13-22(14-11-20)34(36)37/h1-16H,17-18H2,(H,30,35)