1-[(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)carbonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-[(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)carbonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide CAS Name: 1-[(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-oxomethyl]-N-[2-[4-(methylthio)phenyl]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-[4-(methylthio)phenyl]ethyl]isonipecotamide Formula: C26H33N3O3S MolecularWeight: 467.62352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=CC=CC=C2O1)C(=O)N3CCC(CC3)C(=O)NCCC4=CC=C(C=C4)SC

Isomeric SMILES

CCC1CN(C2=CC=CC=C2O1)C(=O)N3CCC(CC3)C(=O)NCCC4=CC=C(C=C4)SC

InChI

InChI=1S/C26H33N3O3S/c1-3-21-18-29(23-6-4-5-7-24(23)32-21)26(31)28-16-13-20(14-17-28)25(30)27-15-12-19-8-10-22(33-2)11-9-19/h4-11,20-21H,3,12-18H2,1-2H3,(H,27,30)