2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-N-mesityl-acetamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)CSC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)CSC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C20H21N3O2S2/c1-12-8-13(2)19(14(3)9-12)23-17(24)10-21-18(25)11-26-20-22-15-6-4-5-7-16(15)27-20/h4-9H,10-11H2,1-3H3,(H,21,25)(H,23,24)