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

Systemtic Name: N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]propanamide Openeye Name: N-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]propanamide CAS Name: N-[[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylamino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylcarbamothioyl]propanamide Traditional Name: N-[[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-cyclohexyl-thiocarbamoyl]propionamide Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4S/c1-3-19(25)22-20(28)23(15-7-5-4-6-8-15)12-14-9-10-16(17(11-14)26-2)27-13-18(21)24/h9-11,15H,3-8,12-13H2,1-2H3,(H2,21,24)(H,22,25,28)