N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylamino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylcarbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-cyclohexyl-thiocarbamoyl]thiophene-2-carboxamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2CCCCC2)C(=S)NC(=O)C3=CC=CS3)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)CN(C2CCCCC2)C(=S)NC(=O)C3=CC=CS3)OCC(=O)N

InChI

InChI=1S/C22H27N3O4S2/c1-28-18-12-15(9-10-17(18)29-14-20(23)26)13-25(16-6-3-2-4-7-16)22(30)24-21(27)19-8-5-11-31-19/h5,8-12,16H,2-4,6-7,13-14H2,1H3,(H2,23,26)(H,24,27,30)