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

Systemtic Name: N-(3-chlorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-(3-chlorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N-(3-chlorophenyl)-2-[(3-nitrophenyl)methylthio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-N-(3-chlorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-N-(3-chlorophenyl)-4-keto-2-[(3-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C29H21ClN4O4S MolecularWeight: 557.01944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H21ClN4O4S/c30-22-9-5-10-23(16-22)31-27(35)21-12-13-25-26(15-21)32-29(33(28(25)36)17-19-6-2-1-3-7-19)39-18-20-8-4-11-24(14-20)34(37)38/h1-16H,17-18H2,(H,31,35)