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

Systemtic Name: methyl 2-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[[2-(2-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-(2-methylpiperidino)ethyl]thio]-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CC1CCCCN1C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-18-8-6-7-14-28(18)23(30)17-34-26-27-22-16-20(25(32)33-2)11-12-21(22)24(31)29(26)15-13-19-9-4-3-5-10-19/h3-5,9-12,16,18H,6-8,13-15,17H2,1-2H3