2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)ethanamide Openeye Name: 2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl]sulfanyl-N-(m-tolyl)acetamide CAS Name: 2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl]thio]-N-(m-tolyl)acetamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3O2S2/c1-14-6-5-7-15(10-14)21-18(24)12-26-13-20(25)23(2)11-19-22-16-8-3-4-9-17(16)27-19/h3-10H,11-13H2,1-2H3,(H,21,24)