2-[2-(4-bromophenyl)sulfanylethanoylamino]-N-(2-chloroethyl)-4,5-dimethoxy-benzamide

Systemtic Name: 2-[2-(4-bromophenyl)sulfanylethanoylamino]-N-(2-chloroethyl)-4,5-dimethoxy-benzamide Openeye Name: 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N-(2-chloroethyl)-4,5-dimethoxy-benzamide CAS Name: 2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-N-(2-chloroethyl)-4,5-dimethoxybenzamide IUPAC Name: 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N-(2-chloroethyl)-4,5-dimethoxybenzamide Traditional Name: 2-[[2-[(4-bromophenyl)thio]acetyl]amino]-N-(2-chloroethyl)-4,5-dimethoxy-benzamide Formula: C19H20BrClN2O4S MolecularWeight: 487.7951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCCCl)NC(=O)CSC2=CC=C(C=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCCCl)NC(=O)CSC2=CC=C(C=C2)Br)OC

InChI

InChI=1S/C19H20BrClN2O4S/c1-26-16-9-14(19(25)22-8-7-21)15(10-17(16)27-2)23-18(24)11-28-13-5-3-12(20)4-6-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,25)(H,23,24)