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

Systemtic Name: (phenylmethyl) N'-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-N-phenethyl-N-prop-2-enyl-carbamimidothioate Openeye Name: 1-allyl-2-benzyl-3-[2-(4-bromophenyl)-2-oxo-ethyl]-1-phenethyl-isothiourea CAS Name: N'-[2-(4-bromophenyl)-2-oxoethyl]-N-phenethyl-N-prop-2-enylcarbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-[2-(4-bromophenyl)-2-oxoethyl]-N-phenethyl-N-prop-2-enylcarbamimidothioate Traditional Name: 1-allyl-2-benzyl-3-[2-(4-bromophenyl)-2-keto-ethyl]-1-phenethyl-isothiourea Formula: C27H27BrN2OS MolecularWeight: 507.48508

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CCC1=CC=CC=C1)C(=NCC(=O)C2=CC=C(C=C2)Br)SCC3=CC=CC=C3

Isomeric SMILES

C=CCN(CCC1=CC=CC=C1)C(=NCC(=O)C2=CC=C(C=C2)Br)SCC3=CC=CC=C3

InChI

InChI=1S/C27H27BrN2OS/c1-2-18-30(19-17-22-9-5-3-6-10-22)27(32-21-23-11-7-4-8-12-23)29-20-26(31)24-13-15-25(28)16-14-24/h2-16H,1,17-21H2