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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isothiourea CAS Name: N'-(phenylmethyl)carbamimidothioic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl N'-benzylcarbamimidothioate Traditional Name: 3-benzyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isothiourea Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC(=NCC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC(=NCC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c18-17(19-8-12-4-2-1-3-5-12)25-10-14-7-15(20(21)22)6-13-9-23-11-24-16(13)14/h1-7H,8-11H2,(H2,18,19)