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

Systemtic Name: 4-ethyl-2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-5-methyl-thiophene-3-carboxamide Openeye Name: 4-ethyl-2-[(4-hexoxybenzoyl)carbamothioylamino]-5-methyl-thiophene-3-carboxamide CAS Name: 4-ethyl-2-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxamide IUPAC Name: 4-ethyl-2-[(4-hexoxybenzoyl)carbamothioylamino]-5-methylthiophene-3-carboxamide Traditional Name: 4-ethyl-2-[(4-hexoxybenzoyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C)CC)C(=O)N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C)CC)C(=O)N

InChI

InChI=1S/C22H29N3O3S2/c1-4-6-7-8-13-28-16-11-9-15(10-12-16)20(27)24-22(29)25-21-18(19(23)26)17(5-2)14(3)30-21/h9-12H,4-8,13H2,1-3H3,(H2,23,26)(H2,24,25,27,29)