N-[2-[1-(2-azanyl-5-chloranyl-phenyl)-2-methyl-propyl]sulfanylethyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[2-[1-(2-azanyl-5-chloranyl-phenyl)-2-methyl-propyl]sulfanylethyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[2-[1-(2-amino-5-chloro-phenyl)-2-methyl-propyl]sulfanylethyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[2-[[1-(2-amino-5-chlorophenyl)-2-methylpropyl]thio]ethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[2-[1-(2-amino-5-chlorophenyl)-2-methylpropyl]sulfanylethyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[2-[[1-(2-amino-5-chloro-phenyl)-2-methyl-propyl]thio]ethyl]-3,4,5-trimethoxy-benzamide Formula: C22H29ClN2O4S MolecularWeight: 452.99466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C(C=CC(=C1)Cl)N)SCCNC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC(C)C(C1=C(C=CC(=C1)Cl)N)SCCNC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C22H29ClN2O4S/c1-13(2)21(16-12-15(23)6-7-17(16)24)30-9-8-25-22(26)14-10-18(27-3)20(29-5)19(11-14)28-4/h6-7,10-13,21H,8-9,24H2,1-5H3,(H,25,26)