N-(1-azanyl-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl)-3-[3-(dimethylamino)phenoxy]-4,5-bis(oxidanyl)cyclohexene-1-carboxamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl)-3-[3-(dimethylamino)phenoxy]-4,5-bis(oxidanyl)cyclohexene-1-carboxamide Openeye Name: N-[2-amino-2-oxo-1-(2-thienylmethyl)ethyl]-3-[3-(dimethylamino)phenoxy]-4,5-dihydroxy-cyclohexene-1-carboxamide CAS Name: N-(1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl)-3-[3-(dimethylamino)phenoxy]-4,5-dihydroxy-1-cyclohexenecarboxamide IUPAC Name: N-(1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl)-3-[3-(dimethylamino)phenoxy]-4,5-dihydroxycyclohexene-1-carboxamide Traditional Name: N-[2-amino-2-keto-1-(2-thenyl)ethyl]-3-[3-(dimethylamino)phenoxy]-4,5-dihydroxy-cyclohexene-1-carboxamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=CC=C1)OC2C=C(CC(C2O)O)C(=O)NC(CC3=CC=CS3)C(=O)N

Isomeric SMILES

CN(C)C1=CC(=CC=C1)OC2C=C(CC(C2O)O)C(=O)NC(CC3=CC=CS3)C(=O)N

InChI

InChI=1S/C22H27N3O5S/c1-25(2)14-5-3-6-15(11-14)30-19-10-13(9-18(26)20(19)27)22(29)24-17(21(23)28)12-16-7-4-8-31-16/h3-8,10-11,17-20,26-27H,9,12H2,1-2H3,(H2,23,28)(H,24,29)