2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl-ethyl-amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl-ethyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]-ethyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: 2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]-ethyl-amino]-N-(2-thenyl)acetamide Formula: C18H21BrN2O2S2 MolecularWeight: 441.40554

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)C(=O)CSC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C(=O)CSC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C18H21BrN2O2S2/c1-3-21(11-17(22)20-10-15-5-4-8-24-15)18(23)12-25-16-7-6-14(19)9-13(16)2/h4-9H,3,10-12H2,1-2H3,(H,20,22)