2-(2-bromophenyl)sulfanyl-2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]-N-ethyl-butanamide

Systemtic Name: 2-(2-bromophenyl)sulfanyl-2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]-N-ethyl-butanamide Openeye Name: 2-(2-bromophenyl)sulfanyl-2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]-N-ethyl-butanamide CAS Name: 2-[(2-bromophenyl)thio]-2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]-N-ethylbutanamide IUPAC Name: 2-(2-bromophenyl)sulfanyl-2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]-N-ethylbutanamide Traditional Name: 2-[(2-bromophenyl)thio]-2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]-N-ethyl-butyramide Formula: C21H29BrN2OS MolecularWeight: 437.43676

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC)(NCC=CC#CC(C)(C)C)SC1=CC=CC=C1Br

Isomeric SMILES

CCC(C(=O)NCC)(NC/C=C/C#CC(C)(C)C)SC1=CC=CC=C1Br

InChI

InChI=1S/C21H29BrN2OS/c1-6-21(19(25)23-7-2,26-18-14-10-9-13-17(18)22)24-16-12-8-11-15-20(3,4)5/h8-10,12-14,24H,6-7,16H2,1-5H3,(H,23,25)/b12-8+