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

Systemtic Name: N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]-3,4-diethoxy-benzamide Openeye Name: N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxo-ethyl]-3,4-diethoxy-benzamide CAS Name: N-[2-[2-[(4-bromophenyl)thio]ethylamino]-2-oxoethyl]-3,4-diethoxybenzamide IUPAC Name: N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]-3,4-diethoxybenzamide Traditional Name: N-[2-[2-[(4-bromophenyl)thio]ethylamino]-2-keto-ethyl]-3,4-diethoxy-benzamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NCCSC2=CC=C(C=C2)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NCCSC2=CC=C(C=C2)Br)OCC

InChI

InChI=1S/C21H25BrN2O4S/c1-3-27-18-10-5-15(13-19(18)28-4-2)21(26)24-14-20(25)23-11-12-29-17-8-6-16(22)7-9-17/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)(H,24,26)