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

Systemtic Name: 1-[(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)carbonyl]-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide CAS Name: 1-[(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-oxomethyl]-N-[2-[4-(methylthio)phenyl]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-[4-(methylthio)phenyl]ethyl]isonipecotamide Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)C)C(=O)N3CCC(CC3)C(=O)NCCC4=CC=C(C=C4)SC

Isomeric SMILES

CCC1CN(C2=C(O1)C=CC(=C2)C)C(=O)N3CCC(CC3)C(=O)NCCC4=CC=C(C=C4)SC

InChI

InChI=1S/C27H35N3O3S/c1-4-22-18-30(24-17-19(2)5-10-25(24)33-22)27(32)29-15-12-21(13-16-29)26(31)28-14-11-20-6-8-23(34-3)9-7-20/h5-10,17,21-22H,4,11-16,18H2,1-3H3,(H,28,31)