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

Systemtic Name: 3-[[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 3-[[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[[4-[[2-(4-chlorophenyl)ethylamino]-oxomethyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 3-[[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[4-[2-(4-chlorophenyl)ethylcarbamoyl]benzyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylate Formula: C25H19ClN3O4S- MolecularWeight: 492.95406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)[O-])NC3=S)Cl

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)[O-])NC3=S)Cl

InChI

InChI=1S/C25H20ClN3O4S/c26-19-8-3-15(4-9-19)11-12-27-22(30)17-5-1-16(2-6-17)14-29-23(31)20-10-7-18(24(32)33)13-21(20)28-25(29)34/h1-10,13H,11-12,14H2,(H,27,30)(H,28,34)(H,32,33)/p-1