(phenylmethyl) N-[(4-chlorophenyl)carbonylamino]-N'-phenyl-carbamimidothioate dihydrobromide

Systemtic Name: (phenylmethyl) N-[(4-chlorophenyl)carbonylamino]-N'-phenyl-carbamimidothioate dihydrobromide Openeye Name: 2-benzyl-1-[(4-chlorobenzoyl)amino]-3-phenyl-isothiourea dihydrobromide CAS Name: N-[[(4-chlorophenyl)-oxomethyl]amino]-N'-phenylcarbamimidothioic acid (phenylmethyl) ester dihydrobromide IUPAC Name: benzyl N-[(4-chlorobenzoyl)amino]-N'-phenylcarbamimidothioate dihydrobromide Traditional Name: 2-benzyl-1-[(4-chlorobenzoyl)amino]-3-phenyl-isothiourea dihydrobromide Formula: C21H20Br2ClN3OS MolecularWeight: 557.729

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=NC2=CC=CC=C2)NNC(=O)C3=CC=C(C=C3)Cl.Br.Br

Isomeric SMILES

C1=CC=C(C=C1)CSC(=NC2=CC=CC=C2)NNC(=O)C3=CC=C(C=C3)Cl.Br.Br

InChI

InChI=1S/C21H18ClN3OS.2BrH/c22-18-13-11-17(12-14-18)20(26)24-25-21(23-19-9-5-2-6-10-19)27-15-16-7-3-1-4-8-16;;/h1-14H,15H2,(H,23,25)(H,24,26);2*1H