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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl N'-(4-chlorophenyl)carbamimidothioate Openeye Name: 3-(4-chlorophenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isothiourea CAS Name: N'-(4-chlorophenyl)carbamimidothioic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl N'-(4-chlorophenyl)carbamimidothioate Traditional Name: 3-(4-chlorophenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isothiourea Formula: C16H14ClN3O4S MolecularWeight: 379.81806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O4S/c17-12-1-3-13(4-2-12)19-16(18)25-8-11-6-14(20(21)22)5-10-7-23-9-24-15(10)11/h1-6H,7-9H2,(H2,18,19)