2-[(2-oxidanylcyclohexyl)amino]-4-(3,4,5-trimethoxyphenyl)sulfanyl-benzamide

Systemtic Name: 2-[(2-oxidanylcyclohexyl)amino]-4-(3,4,5-trimethoxyphenyl)sulfanyl-benzamide Openeye Name: 2-[(2-hydroxycyclohexyl)amino]-4-(3,4,5-trimethoxyphenyl)sulfanyl-benzamide CAS Name: 2-[(2-hydroxycyclohexyl)amino]-4-[(3,4,5-trimethoxyphenyl)thio]benzamide IUPAC Name: 2-[(2-hydroxycyclohexyl)amino]-4-(3,4,5-trimethoxyphenyl)sulfanylbenzamide Traditional Name: 2-[(2-hydroxycyclohexyl)amino]-4-[(3,4,5-trimethoxyphenyl)thio]benzamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)SC2=CC(=C(C=C2)C(=O)N)NC3CCCCC3O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)SC2=CC(=C(C=C2)C(=O)N)NC3CCCCC3O

InChI

InChI=1S/C22H28N2O5S/c1-27-19-11-14(12-20(28-2)21(19)29-3)30-13-8-9-15(22(23)26)17(10-13)24-16-6-4-5-7-18(16)25/h8-12,16,18,24-25H,4-7H2,1-3H3,(H2,23,26)