2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl-propyl-amino]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl-propyl-amino]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-propyl-amino]-N-(o-tolyl)acetamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-propylamino]-N-(2-methylphenyl)acetamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]-propyl-amino]-N-(o-tolyl)acetamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O2S2/c1-3-12-24(13-19(25)22-16-9-5-4-8-15(16)2)20(26)14-27-21-23-17-10-6-7-11-18(17)28-21/h4-11H,3,12-14H2,1-2H3,(H,22,25)