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

Systemtic Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(3,4-dimethylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-(3,4-dimethylphenyl)sulfanyl-ethanone CAS Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-[(3,4-dimethylphenyl)thio]ethanone IUPAC Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(3,4-dimethylphenyl)sulfanylethanone Traditional Name: 1-[4-(1,3-benzoxazol-2-yl)piperidino]-2-[(3,4-dimethylphenyl)thio]ethanone Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C22H24N2O2S/c1-15-7-8-18(13-16(15)2)27-14-21(25)24-11-9-17(10-12-24)22-23-19-5-3-4-6-20(19)26-22/h3-8,13,17H,9-12,14H2,1-2H3