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

Systemtic Name: methyl 3-[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[2-[2-(4-chlorophenyl)ethylamino]-2-oxo-ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[2-[2-(4-chlorophenyl)ethylamino]-2-keto-ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC(=O)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC(=O)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O4S/c1-28-19(27)13-4-7-15-16(10-13)23-20(29)24(18(15)26)11-17(25)22-9-8-12-2-5-14(21)6-3-12/h2-7,10H,8-9,11H2,1H3,(H,22,25)(H,23,29)