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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-(3,4-dimethylphenyl)isothiourea CAS Name: N'-(3,4-dimethylphenyl)carbamimidothioic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-(3,4-dimethylphenyl)isothiourea Formula: C18H19ClN2O2S MolecularWeight: 362.87366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C(N)SCC2=C3C(=CC(=C2)Cl)COCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N=C(N)SCC2=C3C(=CC(=C2)Cl)COCO3)C

InChI

InChI=1S/C18H19ClN2O2S/c1-11-3-4-16(5-12(11)2)21-18(20)24-9-14-7-15(19)6-13-8-22-10-23-17(13)14/h3-7H,8-10H2,1-2H3,(H2,20,21)