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

Systemtic Name: N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]-3-butoxy-benzamide Openeye Name: N-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]-3-butoxy-benzamide CAS Name: N-[[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylamino]-sulfanylidenemethyl]-3-butoxybenzamide IUPAC Name: N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylcarbamothioyl]-3-butoxybenzamide Traditional Name: N-[[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-cyclohexyl-thiocarbamoyl]-3-butoxy-benzamide Formula: C28H37N3O5S MolecularWeight: 527.67548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N(CC2=CC(=C(C=C2)OCC(=O)N)OC)C3CCCCC3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N(CC2=CC(=C(C=C2)OCC(=O)N)OC)C3CCCCC3

InChI

InChI=1S/C28H37N3O5S/c1-3-4-15-35-23-12-8-9-21(17-23)27(33)30-28(37)31(22-10-6-5-7-11-22)18-20-13-14-24(25(16-20)34-2)36-19-26(29)32/h8-9,12-14,16-17,22H,3-7,10-11,15,18-19H2,1-2H3,(H2,29,32)(H,30,33,37)