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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-(4-chlorophenyl)carbamimidothioate Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-(4-chlorophenyl)isothiourea CAS Name: N'-(4-chlorophenyl)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-chlorophenyl)carbamimidothioate Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-(4-chlorophenyl)isothiourea Formula: C16H14Cl2N2O2S MolecularWeight: 369.26556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14Cl2N2O2S/c17-12-1-3-14(4-2-12)20-16(19)23-8-11-6-13(18)5-10-7-21-9-22-15(10)11/h1-6H,7-9H2,(H2,19,20)