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

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[(3-nitrophenyl)methylthio]-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-(2-chlorobenzyl)-4-keto-2-[(3-nitrobenzyl)thio]-3-phenethyl-quinazoline-7-carboxamide Formula: C31H25ClN4O4S MolecularWeight: 585.0726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=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)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4Cl)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H25ClN4O4S/c32-27-12-5-4-10-24(27)19-33-29(37)23-13-14-26-28(18-23)34-31(41-20-22-9-6-11-25(17-22)36(39)40)35(30(26)38)16-15-21-7-2-1-3-8-21/h1-14,17-18H,15-16,19-20H2,(H,33,37)