(2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-(phenylmethyl)carbamimidothioate

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-2-[(2-bromo-4,5-dimethoxy-phenyl)methyl]isothiourea CAS Name: N'-(phenylmethyl)carbamimidothioic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl N'-benzylcarbamimidothioate Traditional Name: 3-benzyl-2-(2-bromo-4,5-dimethoxy-benzyl)isothiourea Formula: C17H19BrN2O2S MolecularWeight: 395.31396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC(=NCC2=CC=CC=C2)N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC(=NCC2=CC=CC=C2)N)Br)OC

InChI

InChI=1S/C17H19BrN2O2S/c1-21-15-8-13(14(18)9-16(15)22-2)11-23-17(19)20-10-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H2,19,20)