2-(1,3-benzothiazol-2-yl)-1-[ethyl-(3-methylphenyl)amino]ethanethiol

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-1-[ethyl-(3-methylphenyl)amino]ethanethiol Openeye Name: 2-(1,3-benzothiazol-2-yl)-1-(N-ethyl-3-methyl-anilino)ethanethiol CAS Name: 2-(1,3-benzothiazol-2-yl)-1-(N-ethyl-3-methylanilino)ethanethiol IUPAC Name: 2-(1,3-benzothiazol-2-yl)-1-(N-ethyl-3-methylanilino)ethanethiol Traditional Name: 2-(1,3-benzothiazol-2-yl)-1-(N-ethyl-3-methyl-anilino)ethanethiol Formula: C18H20N2S2 MolecularWeight: 328.4948

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C(CC2=NC3=CC=CC=C3S2)S

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C(CC2=NC3=CC=CC=C3S2)S

InChI

InChI=1S/C18H20N2S2/c1-3-20(14-8-6-7-13(2)11-14)18(21)12-17-19-15-9-4-5-10-16(15)22-17/h4-11,18,21H,3,12H2,1-2H3