ethyl 4-[2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-oxo-2-[2-oxo-2-(sec-butylamino)ethyl]sulfanyl-quinazolin-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-[[2-(butan-2-ylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-keto-2-[[2-keto-2-(sec-butylamino)ethyl]thio]quinazolin-3-yl]piperidine-1-carboxylic acid ethyl ester Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C22H30N4O4S/c1-4-15(3)23-19(27)14-31-21-24-18-9-7-6-8-17(18)20(28)26(21)16-10-12-25(13-11-16)22(29)30-5-2/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,23,27)