(phenylmethyl) N-(cyclohexylideneamino)-N'-(phenylcarbamoyl)carbamimidothioate

Systemtic Name: (phenylmethyl) N-(cyclohexylideneamino)-N'-(phenylcarbamoyl)carbamimidothioate Openeye Name: (1Z)-1-[benzylsulfanyl-(2-cyclohexylidenehydrazino)methylene]-3-phenyl-urea CAS Name: N'-[anilino(oxo)methyl]-N-(cyclohexylideneamino)carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N-(cyclohexylideneamino)-N'-(phenylcarbamoyl)carbamimidothioate Traditional Name: (1Z)-1-[(benzylthio)-(N'-cyclohexylidenehydrazino)methylene]-3-phenyl-urea Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NNC(=NC(=O)NC2=CC=CC=C2)SCC3=CC=CC=C3)CC1

Isomeric SMILES

C1CCC(=NN/C(=N/C(=O)NC2=CC=CC=C2)/SCC3=CC=CC=C3)CC1

InChI

InChI=1S/C21H24N4OS/c26-20(22-18-12-6-2-7-13-18)23-21(25-24-19-14-8-3-9-15-19)27-16-17-10-4-1-5-11-17/h1-2,4-7,10-13H,3,8-9,14-16H2,(H2,22,23,25,26)