methyl 3-[3-(2-ethylpiperidin-1-yl)propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[3-(2-ethylpiperidin-1-yl)propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[3-(2-ethyl-1-piperidyl)propyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[3-(2-ethyl-1-piperidinyl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(2-ethylpiperidin-1-yl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[3-(2-ethylpiperidino)propyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CCCN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

Isomeric SMILES

CCC1CCCCN1CCCN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

InChI

InChI=1S/C20H27N3O3S/c1-3-15-7-4-5-10-22(15)11-6-12-23-18(24)16-9-8-14(19(25)26-2)13-17(16)21-20(23)27/h8-9,13,15H,3-7,10-12H2,1-2H3,(H,21,27)