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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C(=C(S2)C)CC)C(=O)N

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C(=C(S2)C)CC)C(=O)N

InChI

InChI=1S/C22H29N3O3S2/c1-4-6-7-10-13-28-17-12-9-8-11-16(17)20(27)24-22(29)25-21-18(19(23)26)15(5-2)14(3)30-21/h8-9,11-12H,4-7,10,13H2,1-3H3,(H2,23,26)(H2,24,25,27,29)