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

Systemtic Name: methyl 2-(dimethylcarbamothioylsulfanylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-(dimethylcarbamothioylsulfanylmethyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[dimethylamino(sulfanylidene)methyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(dimethylcarbamothioylsulfanylmethyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(dimethylthiocarbamoylthio)methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)SCC1=NC(=O)C2=C(N1)C=C(C=C2)C(=O)OC

Isomeric SMILES

CN(C)C(=S)SCC1=NC(=O)C2=C(N1)C=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H15N3O3S2/c1-17(2)14(21)22-7-11-15-10-6-8(13(19)20-3)4-5-9(10)12(18)16-11/h4-6H,7H2,1-3H3,(H,15,16,18)