2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]-N-ethyl-2-(3-methoxyphenyl)sulfanyl-butanamide

Systemtic Name: 2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]-N-ethyl-2-(3-methoxyphenyl)sulfanyl-butanamide Openeye Name: 2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]-N-ethyl-2-(3-methoxyphenyl)sulfanyl-butanamide CAS Name: 2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]-N-ethyl-2-[(3-methoxyphenyl)thio]butanamide IUPAC Name: 2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]-N-ethyl-2-(3-methoxyphenyl)sulfanylbutanamide Traditional Name: 2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]-N-ethyl-2-[(3-methoxyphenyl)thio]butyramide Formula: C22H32N2O2S MolecularWeight: 388.56668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC)(NCC=CC#CC(C)(C)C)SC1=CC=CC(=C1)OC

Isomeric SMILES

CCC(C(=O)NCC)(NC/C=C/C#CC(C)(C)C)SC1=CC=CC(=C1)OC

InChI

InChI=1S/C22H32N2O2S/c1-7-22(20(25)23-8-2,24-16-11-9-10-15-21(3,4)5)27-19-14-12-13-18(17-19)26-6/h9,11-14,17,24H,7-8,16H2,1-6H3,(H,23,25)/b11-9+