N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 6-nitro-N-[2-(p-tolylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[2-[(4-methylbenzyl)thio]ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C19H20N2O5S/c1-13-2-4-14(5-3-13)12-27-9-6-20-19(22)15-10-17-18(26-8-7-25-17)11-16(15)21(23)24/h2-5,10-11H,6-9,12H2,1H3,(H,20,22)