[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] N-phenethyl-N-(phenylmethyl)-N'-prop-2-enyl-carbamimidothioate hydrobromide

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] N-phenethyl-N-(phenylmethyl)-N'-prop-2-enyl-carbamimidothioate hydrobromide Openeye Name: 3-allyl-1-benzyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]-1-phenethyl-isothiourea hydrobromide CAS Name: N-phenethyl-N-(phenylmethyl)-N'-prop-2-enylcarbamimidothioic acid [2-(4-nitrophenyl)-2-oxoethyl] ester hydrobromide IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] N-benzyl-N-phenethyl-N'-prop-2-enylcarbamimidothioate hydrobromide Traditional Name: 3-allyl-1-benzyl-2-[2-keto-2-(4-nitrophenyl)ethyl]-1-phenethyl-isothiourea hydrobromide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(N(CCC1=CC=CC=C1)CC2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Br

Isomeric SMILES

C=CCN=C(N(CCC1=CC=CC=C1)CC2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Br

InChI

InChI=1S/C27H27N3O3S.BrH/c1-2-18-28-27(34-21-26(31)24-13-15-25(16-14-24)30(32)33)29(20-23-11-7-4-8-12-23)19-17-22-9-5-3-6-10-22;/h2-16H,1,17-21H2;1H