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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl N'-phenylcarbamimidothioate Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl N'-phenylcarbamimidothioate Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-phenyl-isothiourea Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC(=NC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC(=NC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S/c17-16(18-13-4-2-1-3-5-13)24-9-12-7-14(19(20)21)6-11-8-22-10-23-15(11)12/h1-7H,8-10H2,(H2,17,18)