methyl 4-oxidanylidene-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-3-phenethyl-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenethylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[(2-keto-2-piperidino-ethyl)thio]-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)N3CCCCC3)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)N3CCCCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S/c1-32-24(31)19-10-11-20-21(16-19)26-25(33-17-22(29)27-13-6-3-7-14-27)28(23(20)30)15-12-18-8-4-2-5-9-18/h2,4-5,8-11,16H,3,6-7,12-15,17H2,1H3