2-[2-(4-bromophenyl)sulfanylethanoyl-methyl-amino]-N-(3,4-diethoxyphenyl)ethanamide

Systemtic Name: 2-[2-(4-bromophenyl)sulfanylethanoyl-methyl-amino]-N-(3,4-diethoxyphenyl)ethanamide Openeye Name: 2-[[2-(4-bromophenyl)sulfanylacetyl]-methyl-amino]-N-(3,4-diethoxyphenyl)acetamide CAS Name: 2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide IUPAC Name: 2-[[2-(4-bromophenyl)sulfanylacetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide Traditional Name: 2-[[2-[(4-bromophenyl)thio]acetyl]-methyl-amino]-N-(3,4-diethoxyphenyl)acetamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CSC2=CC=C(C=C2)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CSC2=CC=C(C=C2)Br)OCC

InChI

InChI=1S/C21H25BrN2O4S/c1-4-27-18-11-8-16(12-19(18)28-5-2)23-20(25)13-24(3)21(26)14-29-17-9-6-15(22)7-10-17/h6-12H,4-5,13-14H2,1-3H3,(H,23,25)