1-[(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)carbonyl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-[(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)carbonyl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-[(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-oxomethyl]-N-[[4-(methylthio)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[4-(methylthio)benzyl]isonipecotamide Formula: C26H33N3O3S MolecularWeight: 467.62352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)C)C(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)SC

Isomeric SMILES

CCC1CN(C2=C(O1)C=CC(=C2)C)C(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)SC

InChI

InChI=1S/C26H33N3O3S/c1-4-21-17-29(23-15-18(2)5-10-24(23)32-21)26(31)28-13-11-20(12-14-28)25(30)27-16-19-6-8-22(33-3)9-7-19/h5-10,15,20-21H,4,11-14,16-17H2,1-3H3,(H,27,30)