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

Systemtic Name: ethyl 4-[2-[2-[ethyl-(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[2-[2-(N-ethyl-3-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-[[2-(N-ethyl-3-methylanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-[[2-(N-ethyl-3-methyl-anilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]piperidine-1-carboxylic acid ethyl ester Formula: C27H32N4O4S MolecularWeight: 508.63238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O4S/c1-4-30(21-10-8-9-19(3)17-21)24(32)18-36-26-28-23-12-7-6-11-22(23)25(33)31(26)20-13-15-29(16-14-20)27(34)35-5-2/h6-12,17,20H,4-5,13-16,18H2,1-3H3