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

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-2-[(3-nitrophenyl)methylthio]-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-(3-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=C4)Cl)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=C4)Cl)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

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