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

Systemtic Name: 1-[(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)carbonyl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-[(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-oxomethyl]-N-[[4-(methylthio)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[4-(methylthio)benzyl]isonipecotamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=CC=CC=C2O1)C(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)SC

Isomeric SMILES

CCC1CN(C2=CC=CC=C2O1)C(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)SC

InChI

InChI=1S/C25H31N3O3S/c1-3-20-17-28(22-6-4-5-7-23(22)31-20)25(30)27-14-12-19(13-15-27)24(29)26-16-18-8-10-21(32-2)11-9-18/h4-11,19-20H,3,12-17H2,1-2H3,(H,26,29)