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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-phenylcarbamimidothioate Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl N'-phenylcarbamimidothioate Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-phenyl-isothiourea Formula: C16H15ClN2O2S MolecularWeight: 334.8205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC(=NC3=CC=CC=C3)N)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC(=NC3=CC=CC=C3)N)Cl

InChI

InChI=1S/C16H15ClN2O2S/c17-13-6-11-8-20-10-21-15(11)12(7-13)9-22-16(18)19-14-4-2-1-3-5-14/h1-7H,8-10H2,(H2,18,19)