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

Systemtic Name: N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]butanamide Openeye Name: N-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]butanamide CAS Name: N-[[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylamino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylcarbamothioyl]butanamide Traditional Name: N-[[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-cyclohexyl-thiocarbamoyl]butyramide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4S/c1-3-7-20(26)23-21(29)24(16-8-5-4-6-9-16)13-15-10-11-17(18(12-15)27-2)28-14-19(22)25/h10-12,16H,3-9,13-14H2,1-2H3,(H2,22,25)(H,23,26,29)