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

Systemtic Name: 2-[(3-butoxyphenyl)carbonylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Openeye Name: 2-[(3-butoxybenzoyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxamide IUPAC Name: 2-[(3-butoxybenzoyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxamide Traditional Name: 2-[(3-butoxybenzoyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C)CC)C(=O)N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C)CC)C(=O)N

InChI

InChI=1S/C20H25N3O3S2/c1-4-6-10-26-14-9-7-8-13(11-14)18(25)22-20(27)23-19-16(17(21)24)15(5-2)12(3)28-19/h7-9,11H,4-6,10H2,1-3H3,(H2,21,24)(H2,22,23,25,27)