(6-nitro-4H-1,3-benzodioxin-8-yl)methyl N-(3-methoxyphenyl)-N'-(2-methylphenyl)carbamimidothioate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl N-(3-methoxyphenyl)-N'-(2-methylphenyl)carbamimidothioate Openeye Name: 1-(3-methoxyphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-(o-tolyl)isothiourea CAS Name: N-(3-methoxyphenyl)-N'-(2-methylphenyl)carbamimidothioic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl N-(3-methoxyphenyl)-N'-(2-methylphenyl)carbamimidothioate Traditional Name: 1-(3-methoxyphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-(o-tolyl)isothiourea Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=C(NC2=CC(=CC=C2)OC)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=CC=CC=C1N=C(NC2=CC(=CC=C2)OC)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C24H23N3O5S/c1-16-6-3-4-9-22(16)26-24(25-19-7-5-8-21(12-19)30-2)33-14-18-11-20(27(28)29)10-17-13-31-15-32-23(17)18/h3-12H,13-15H2,1-2H3,(H,25,26)