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

Systemtic Name: ethyl 4-[2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-[[2-(4-ethylanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-[[2-(4-ethylanilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]piperidine-1-carboxylic acid ethyl ester Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C26H30N4O4S/c1-3-18-9-11-19(12-10-18)27-23(31)17-35-25-28-22-8-6-5-7-21(22)24(32)30(25)20-13-15-29(16-14-20)26(33)34-4-2/h5-12,20H,3-4,13-17H2,1-2H3,(H,27,31)