N-(2-ethylsulfanylethyl)-3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide

Systemtic Name: N-(2-ethylsulfanylethyl)-3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide Openeye Name: N-(2-ethylsulfanylethyl)-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzamide CAS Name: N-[2-(ethylthio)ethyl]-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]benzamide IUPAC Name: N-(2-ethylsulfanylethyl)-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide Traditional Name: N-[2-(ethylthio)ethyl]-4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-benzamide Formula: C24H28N4O5S MolecularWeight: 484.56792

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3C4=CC=CC=C4COC3=O)[N+](=O)[O-]

Isomeric SMILES

CCSCCNC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3C4=CC=CC=C4COC3=O)[N+](=O)[O-]

InChI

InChI=1S/C24H28N4O5S/c1-2-34-14-11-25-23(29)17-7-8-21(22(15-17)28(31)32)26-12-9-19(10-13-26)27-20-6-4-3-5-18(20)16-33-24(27)30/h3-8,15,19H,2,9-14,16H2,1H3,(H,25,29)