2-[(3-bromophenyl)methylsulfanyl]-N-(cyclododecylideneamino)ethanamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(cyclododecylideneamino)ethanamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(cyclododecylideneamino)acetamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-(cyclododecylideneamino)acetamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(cyclododecylideneamino)acetamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-(cyclododecylideneamino)acetamide Formula: C21H31BrN2OS MolecularWeight: 439.45264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=NNC(=O)CSCC2=CC(=CC=C2)Br)CCCCC1

Isomeric SMILES

C1CCCCCC(=NNC(=O)CSCC2=CC(=CC=C2)Br)CCCCC1

InChI

InChI=1S/C21H31BrN2OS/c22-19-12-10-11-18(15-19)16-26-17-21(25)24-23-20-13-8-6-4-2-1-3-5-7-9-14-20/h10-12,15H,1-9,13-14,16-17H2,(H,24,25)