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

Systemtic Name: N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]pentanamide Openeye Name: N-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]pentanamide CAS Name: N-[[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylamino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylcarbamothioyl]pentanamide Traditional Name: N-[[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-cyclohexyl-thiocarbamoyl]valeramide Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O4S/c1-3-4-10-21(27)24-22(30)25(17-8-6-5-7-9-17)14-16-11-12-18(19(13-16)28-2)29-15-20(23)26/h11-13,17H,3-10,14-15H2,1-2H3,(H2,23,26)(H,24,27,30)