2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]acetamide CAS Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]acetamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)CC(=O)NC3=CC=CC=C3SCC=C

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)CC(=O)NC3=CC=CC=C3SCC=C

InChI

InChI=1S/C21H23N3OS2/c1-4-13-26-18-11-7-5-9-16(18)22-20(25)14-24(3)15(2)21-23-17-10-6-8-12-19(17)27-21/h4-12,15H,1,13-14H2,2-3H3,(H,22,25)/t15-/m1/s1