N-(1,3-benzothiazol-2-ylmethyl)-2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-bromo-2,5-dimethylphenyl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetamide Formula: C18H17BrN2OS2 MolecularWeight: 421.37438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17BrN2OS2/c1-11-8-16(12(2)7-13(11)19)23-10-17(22)20-9-18-21-14-5-3-4-6-15(14)24-18/h3-8H,9-10H2,1-2H3,(H,20,22)