2-[3-[[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[3-[[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[3-[[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-methyl-amino]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[3-[[2-(3,4-diethoxyanilino)-2-keto-ethyl]-methyl-amino]propanoylamino]thiophene-3-carboxamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN(C)CCC(=O)NC2=C(C=CS2)C(=O)N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN(C)CCC(=O)NC2=C(C=CS2)C(=O)N)OCC

InChI

InChI=1S/C21H28N4O5S/c1-4-29-16-7-6-14(12-17(16)30-5-2)23-19(27)13-25(3)10-8-18(26)24-21-15(20(22)28)9-11-31-21/h6-7,9,11-12H,4-5,8,10,13H2,1-3H3,(H2,22,28)(H,23,27)(H,24,26)