2-pentylsulfanyl-1,3-benzothiazol-6-amine; (E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine

Systemtic Name: 2-pentylsulfanyl-1,3-benzothiazol-6-amine; (E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine Openeye Name: 2-pentylsulfanyl-1,3-benzothiazol-6-amine; (E)-N,6,6-trimethyl-N-(1-naphthylmethyl)hept-2-en-4-yn-1-amine CAS Name: 2-(pentylthio)-1,3-benzothiazol-6-amine; (E)-N,6,6-trimethyl-N-(1-naphthalenylmethyl)-1-hept-2-en-4-ynamine IUPAC Name: 2-pentylsulfanyl-1,3-benzothiazol-6-amine; (E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine Traditional Name: [2-(amylthio)-1,3-benzothiazol-6-yl]amine; [(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-(1-naphthylmethyl)amine Formula: C33H41N3S2 MolecularWeight: 543.82874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(S1)C=C(C=C2)N.CC(C)(C)C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21

Isomeric SMILES

CCCCCSC1=NC2=C(S1)C=C(C=C2)N.CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C21H25N.C12H16N2S2/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19;1-2-3-4-7-15-12-14-10-6-5-9(13)8-11(10)16-12/h5-7,9-14H,16-17H2,1-4H3;5-6,8H,2-4,7,13H2,1H3/b9-5+;