[2-(4-bromophenyl)-2-oxidanylidene-ethyl] N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate Openeye Name: 1-benzyl-2-[2-(4-bromophenyl)-2-oxo-ethyl]-1-methyl-3-phenyl-isothiourea CAS Name: N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] N-benzyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 1-benzyl-2-[2-(4-bromophenyl)-2-keto-ethyl]-1-methyl-3-phenyl-isothiourea Formula: C23H21BrN2OS MolecularWeight: 453.39464

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=NC2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=NC2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H21BrN2OS/c1-26(16-18-8-4-2-5-9-18)23(25-21-10-6-3-7-11-21)28-17-22(27)19-12-14-20(24)15-13-19/h2-15H,16-17H2,1H3