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

Systemtic Name: N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]-2-methyl-propanamide CAS Name: N-[[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylamino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylcarbamothioyl]-2-methylpropanamide Traditional Name: N-[[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-cyclohexyl-thiocarbamoyl]-2-methyl-propionamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)N(CC1=CC(=C(C=C1)OCC(=O)N)OC)C2CCCCC2

Isomeric SMILES

CC(C)C(=O)NC(=S)N(CC1=CC(=C(C=C1)OCC(=O)N)OC)C2CCCCC2

InChI

InChI=1S/C21H31N3O4S/c1-14(2)20(26)23-21(29)24(16-7-5-4-6-8-16)12-15-9-10-17(18(11-15)27-3)28-13-19(22)25/h9-11,14,16H,4-8,12-13H2,1-3H3,(H2,22,25)(H,23,26,29)