1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone CAS Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-[(2-methyl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(2-methylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-[4-(1,3-benzoxazol-2-yl)piperidino]-2-[(2-methylquinazolin-4-yl)thio]ethanone Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C23H22N4O2S/c1-15-24-18-7-3-2-6-17(18)23(25-15)30-14-21(28)27-12-10-16(11-13-27)22-26-19-8-4-5-9-20(19)29-22/h2-9,16H,10-14H2,1H3