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

Systemtic Name: N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]hexanamide Openeye Name: N-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]hexanamide CAS Name: N-[[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylamino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylcarbamothioyl]hexanamide Traditional Name: N-[[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-cyclohexyl-thiocarbamoyl]hexanamide Formula: C23H35N3O4S MolecularWeight: 449.6067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O4S/c1-3-4-6-11-22(28)25-23(31)26(18-9-7-5-8-10-18)15-17-12-13-19(20(14-17)29-2)30-16-21(24)27/h12-14,18H,3-11,15-16H2,1-2H3,(H2,24,27)(H,25,28,31)