N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxo-ethyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[2-[2-[(4-bromophenyl)thio]ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[2-[2-[(4-bromophenyl)thio]ethylamino]-2-keto-ethyl]-3,4,5-trimethoxy-benzamide Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)NCCSC2=CC=C(C=C2)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)NCCSC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H23BrN2O5S/c1-26-16-10-13(11-17(27-2)19(16)28-3)20(25)23-12-18(24)22-8-9-29-15-6-4-14(21)5-7-15/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,24)(H,23,25)