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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]isothiourea CAS Name: N'-(phenylmethyl)carbamimidothioic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl N'-benzylcarbamimidothioate Traditional Name: 3-benzyl-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]isothiourea Formula: C17H17ClN2O2S MolecularWeight: 348.84708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC(=NCC3=CC=CC=C3)N)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC(=NCC3=CC=CC=C3)N)Cl

InChI

InChI=1S/C17H17ClN2O2S/c18-15-6-13-9-21-11-22-16(13)14(7-15)10-23-17(19)20-8-12-4-2-1-3-5-12/h1-7H,8-11H2,(H2,19,20)