methyl 2-(diethylcarbamothioylsulfanylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(diethylcarbamothioylsulfanylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-(diethylcarbamothioylsulfanylmethyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[diethylamino(sulfanylidene)methyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(diethylcarbamothioylsulfanylmethyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(diethylthiocarbamoylthio)methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC1=NC(=O)C2=C(N1)C=C(C=C2)C(=O)OC

Isomeric SMILES

CCN(CC)C(=S)SCC1=NC(=O)C2=C(N1)C=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H19N3O3S2/c1-4-19(5-2)16(23)24-9-13-17-12-8-10(15(21)22-3)6-7-11(12)14(20)18-13/h6-8H,4-5,9H2,1-3H3,(H,17,18,20)