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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C(N)SCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

COC1=CC=C(C=C1)N=C(N)SCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C17H17ClN2O3S/c1-21-15-4-2-14(3-5-15)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)