(4-bromophenyl)methyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate

Systemtic Name: (4-bromophenyl)methyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate Openeye Name: 2-[(4-bromophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)isothiourea CAS Name: N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate Traditional Name: 2-(4-bromobenzyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)isothiourea Formula: C16H15BrN2O2S MolecularWeight: 379.2715

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N=C(N)SCC3=CC=C(C=C3)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N=C(N)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H15BrN2O2S/c17-12-3-1-11(2-4-12)10-22-16(18)19-13-5-6-14-15(9-13)21-8-7-20-14/h1-6,9H,7-8,10H2,(H2,18,19)