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

Systemtic Name: N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]-4-tert-butyl-benzamide Openeye Name: N-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]-4-tert-butyl-benzamide CAS Name: N-[[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylamino]-sulfanylidenemethyl]-4-tert-butylbenzamide IUPAC Name: N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylcarbamothioyl]-4-tert-butylbenzamide Traditional Name: N-[[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-cyclohexyl-thiocarbamoyl]-4-tert-butyl-benzamide Formula: C28H37N3O4S MolecularWeight: 511.67608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O4S/c1-28(2,3)21-13-11-20(12-14-21)26(33)30-27(36)31(22-8-6-5-7-9-22)17-19-10-15-23(24(16-19)34-4)35-18-25(29)32/h10-16,22H,5-9,17-18H2,1-4H3,(H2,29,32)(H,30,33,36)