2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-N-(2-methylpropyl)benzamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-N-(2-methylpropyl)benzamide Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-N-isobutyl-benzamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]-N-(2-methylpropyl)benzamide IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-N-(2-methylpropyl)benzamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]-N-isobutyl-benzamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CSCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CSCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O2S2/c1-14(2)11-22-21(26)15-7-3-4-8-16(15)23-19(25)12-27-13-20-24-17-9-5-6-10-18(17)28-20/h3-10,14H,11-13H2,1-2H3,(H,22,26)(H,23,25)