phenacyl N-[(4-methoxyphenyl)methyl]-N'-methyl-N-(phenylmethyl)carbamimidothioate hydrobromide

Systemtic Name: phenacyl N-[(4-methoxyphenyl)methyl]-N'-methyl-N-(phenylmethyl)carbamimidothioate hydrobromide Openeye Name: 1-benzyl-1-[(4-methoxyphenyl)methyl]-3-methyl-2-phenacyl-isothiourea hydrobromide CAS Name: N-[(4-methoxyphenyl)methyl]-N'-methyl-N-(phenylmethyl)carbamimidothioic acid phenacyl ester hydrobromide IUPAC Name: phenacyl N-benzyl-N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidothioate hydrobromide Traditional Name: 1-benzyl-3-methyl-1-p-anisyl-2-phenacyl-isothiourea hydrobromide Formula: C25H27BrN2O2S MolecularWeight: 499.46308

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N(CC1=CC=CC=C1)CC2=CC=C(C=C2)OC)SCC(=O)C3=CC=CC=C3.Br

Isomeric SMILES

CN=C(N(CC1=CC=CC=C1)CC2=CC=C(C=C2)OC)SCC(=O)C3=CC=CC=C3.Br

InChI

InChI=1S/C25H26N2O2S.BrH/c1-26-25(30-19-24(28)22-11-7-4-8-12-22)27(17-20-9-5-3-6-10-20)18-21-13-15-23(29-2)16-14-21;/h3-16H,17-19H2,1-2H3;1H