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

Systemtic Name: N-[2-[(2-azanyl-5-chloranyl-phenyl)-cyclohexyl-methyl]sulfanylethyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[2-[(2-amino-5-chloro-phenyl)-cyclohexyl-methyl]sulfanylethyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[2-[[(2-amino-5-chlorophenyl)-cyclohexylmethyl]thio]ethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[2-[(2-amino-5-chlorophenyl)-cyclohexylmethyl]sulfanylethyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[2-[[(2-amino-5-chloro-phenyl)-cyclohexyl-methyl]thio]ethyl]-3,4,5-trimethoxy-benzamide Formula: C25H33ClN2O4S MolecularWeight: 493.05852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCCSC(C2CCCCC2)C3=C(C=CC(=C3)Cl)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCCSC(C2CCCCC2)C3=C(C=CC(=C3)Cl)N

InChI

InChI=1S/C25H33ClN2O4S/c1-30-21-13-17(14-22(31-2)23(21)32-3)25(29)28-11-12-33-24(16-7-5-4-6-8-16)19-15-18(26)9-10-20(19)27/h9-10,13-16,24H,4-8,11-12,27H2,1-3H3,(H,28,29)