(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-(2-methoxyphenyl)carbamimidothioate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-(2-methoxyphenyl)carbamimidothioate Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-(2-methoxyphenyl)isothiourea CAS Name: N'-(2-methoxyphenyl)carbamimidothioic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl N'-(2-methoxyphenyl)carbamimidothioate Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-(2-methoxyphenyl)isothiourea Formula: C17H17ClN2O3S MolecularWeight: 364.84648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N=C(N)SCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

COC1=CC=CC=C1N=C(N)SCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C17H17ClN2O3S/c1-21-15-5-3-2-4-14(15)20-17(19)24-9-12-7-13(18)6-11-8-22-10-23-16(11)12/h2-7H,8-10H2,1H3,(H2,19,20)