(E)-N-ethyl-6,6-dimethyl-N-[1-phenyl-2-(3-thiophen-3-ylphenyl)sulfanyl-ethyl]hept-2-en-4-yn-1-amine hydrochloride

Systemtic Name: (E)-N-ethyl-6,6-dimethyl-N-[1-phenyl-2-(3-thiophen-3-ylphenyl)sulfanyl-ethyl]hept-2-en-4-yn-1-amine hydrochloride Openeye Name: (E)-N-ethyl-6,6-dimethyl-N-[1-phenyl-2-[3-(3-thienyl)phenyl]sulfanyl-ethyl]hept-2-en-4-yn-1-amine hydrochloride CAS Name: (E)-N-ethyl-6,6-dimethyl-N-[1-phenyl-2-[[3-(3-thiophenyl)phenyl]thio]ethyl]-1-hept-2-en-4-ynamine hydrochloride IUPAC Name: (E)-N-ethyl-6,6-dimethyl-N-[1-phenyl-2-(3-thiophen-3-ylphenyl)sulfanylethyl]hept-2-en-4-yn-1-amine hydrochloride Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-[1-phenyl-2-[[3-(3-thienyl)phenyl]thio]ethyl]amine hydrochloride Formula: C29H34ClNS2 MolecularWeight: 496.16996

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)C)C(CSC1=CC=CC(=C1)C2=CSC=C2)C3=CC=CC=C3.Cl

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)C(CSC1=CC=CC(=C1)C2=CSC=C2)C3=CC=CC=C3.Cl

InChI

InChI=1S/C29H33NS2.ClH/c1-5-30(19-11-7-10-18-29(2,3)4)28(24-13-8-6-9-14-24)23-32-27-16-12-15-25(21-27)26-17-20-31-22-26;/h6-9,11-17,20-22,28H,5,19,23H2,1-4H3;1H/b11-7+;