2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-N-(4-bromanyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-N-(4-bromanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]-N-(4-bromo-2-methylphenyl)acetamide IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C19H18BrN3O2S2 MolecularWeight: 464.39912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18BrN3O2S2/c1-12-8-13(20)6-7-14(12)22-17(24)9-21-18(25)10-26-11-19-23-15-4-2-3-5-16(15)27-19/h2-8H,9-11H2,1H3,(H,21,25)(H,22,24)