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

Systemtic Name: 4-ethyl-5-methyl-2-[(2-pentoxyphenyl)carbonylcarbamothioylamino]thiophene-3-carboxamide Openeye Name: 4-ethyl-5-methyl-2-[(2-pentoxybenzoyl)carbamothioylamino]thiophene-3-carboxamide CAS Name: 4-ethyl-5-methyl-2-[[[[oxo-(2-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4-ethyl-5-methyl-2-[(2-pentoxybenzoyl)carbamothioylamino]thiophene-3-carboxamide Traditional Name: 2-[(2-amoxybenzoyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C(=C(S2)C)CC)C(=O)N

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C(=C(S2)C)CC)C(=O)N

InChI

InChI=1S/C21H27N3O3S2/c1-4-6-9-12-27-16-11-8-7-10-15(16)19(26)23-21(28)24-20-17(18(22)25)14(5-2)13(3)29-20/h7-8,10-11H,4-6,9,12H2,1-3H3,(H2,22,25)(H2,23,24,26,28)