methyl 3-[[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[[4-[[(4-chlorophenyl)methylamino]-oxomethyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[4-[(4-chlorobenzyl)carbamoyl]benzyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C25H20ClN3O4S MolecularWeight: 493.962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H20ClN3O4S/c1-33-24(32)18-8-11-20-21(12-18)28-25(34)29(23(20)31)14-16-2-6-17(7-3-16)22(30)27-13-15-4-9-19(26)10-5-15/h2-12H,13-14H2,1H3,(H,27,30)(H,28,34)