N-(3-butylsulfanylpropyl)-2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanamide

Systemtic Name: N-(3-butylsulfanylpropyl)-2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanamide Openeye Name: N-(3-butylsulfanylpropyl)-2-[6-[(4-methyl-1-piperidyl)sulfonyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide CAS Name: N-[3-(butylthio)propyl]-2-[6-[(4-methyl-1-piperidinyl)sulfonyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide IUPAC Name: N-(3-butylsulfanylpropyl)-2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzoxazin-4-yl]acetamide Traditional Name: N-[3-(butylthio)propyl]-2-[3-keto-6-(4-methylpiperidino)sulfonyl-1,4-benzoxazin-4-yl]acetamide Formula: C23H35N3O5S2 MolecularWeight: 497.6711

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCC(CC3)C

Isomeric SMILES

CCCCSCCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCC(CC3)C

InChI

InChI=1S/C23H35N3O5S2/c1-3-4-13-32-14-5-10-24-22(27)16-26-20-15-19(6-7-21(20)31-17-23(26)28)33(29,30)25-11-8-18(2)9-12-25/h6-7,15,18H,3-5,8-14,16-17H2,1-2H3,(H,24,27)