ethyl 4-[(3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)amino]piperidine-1-carboxylate CAS Name: 4-[[(3-methyl-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carbonyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C

InChI

InChI=1S/C18H22N4O4S/c1-3-26-18(25)22-8-6-12(7-9-22)19-15(23)11-4-5-13-14(10-11)20-17(27)21(2)16(13)24/h4-5,10,12H,3,6-9H2,1-2H3,(H,19,23)(H,20,27)