4-ethyl-5-methyl-2-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]thiophene-3-carboxamide

Systemtic Name: 4-ethyl-5-methyl-2-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]thiophene-3-carboxamide Openeye Name: 4-ethyl-2-[(3-isopentyloxybenzoyl)carbamothioylamino]-5-methyl-thiophene-3-carboxamide CAS Name: 4-ethyl-5-methyl-2-[[[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4-ethyl-5-methyl-2-[[3-(3-methylbutoxy)benzoyl]carbamothioylamino]thiophene-3-carboxamide Traditional Name: 4-ethyl-2-[(3-isoamoxybenzoyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC(C)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC(C)C)C

InChI

InChI=1S/C21H27N3O3S2/c1-5-16-13(4)29-20(17(16)18(22)25)24-21(28)23-19(26)14-7-6-8-15(11-14)27-10-9-12(2)3/h6-8,11-12H,5,9-10H2,1-4H3,(H2,22,25)(H2,23,24,26,28)