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

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-[(2-chlorophenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[(3-nitrophenyl)methylthio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-N-[(2-chlorophenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-N-(2-chlorobenzyl)-4-keto-2-[(3-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C30H23ClN4O4S MolecularWeight: 571.04602

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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)NCC4=CC=CC=C4Cl)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)NCC4=CC=CC=C4Cl)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H23ClN4O4S/c31-26-12-5-4-10-23(26)17-32-28(36)22-13-14-25-27(16-22)33-30(34(29(25)37)18-20-7-2-1-3-8-20)40-19-21-9-6-11-24(15-21)35(38)39/h1-16H,17-19H2,(H,32,36)