N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-bromanyl-2-methyl-phenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-bromanyl-2-methyl-phenyl)sulfanyl-ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-bromo-2-methyl-phenyl)sulfanyl-acetamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(4-bromo-2-methylphenyl)thio]acetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-bromo-2-methylphenyl)sulfanylacetamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(4-bromo-2-methyl-phenyl)thio]acetamide Formula: C18H17BrN2OS2 MolecularWeight: 421.37438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17BrN2OS2/c1-12-10-13(19)6-7-15(12)23-11-17(22)20-9-8-18-21-14-4-2-3-5-16(14)24-18/h2-7,10H,8-9,11H2,1H3,(H,20,22)