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

Systemtic Name: ethyl 4-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]piperidine-1-carboxylic acid ethyl ester Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4

InChI

InChI=1S/C24H32N4O4S/c1-2-32-24(31)27-15-11-18(12-16-27)28-22(30)19-9-5-6-10-20(19)25-23(28)33-17-21(29)26-13-7-3-4-8-14-26/h5-6,9-10,18H,2-4,7-8,11-17H2,1H3