2-[2-[[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-amino]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-amino]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[2-[[2-(4-acetamidoanilino)-2-oxo-ethyl]-ethyl-amino]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[2-[[2-(4-acetamidoanilino)-2-keto-ethyl]-ethyl-amino]propanoylamino]thiophene-3-carboxamide Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(C)C(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(C)C(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C20H25N5O4S/c1-4-25(12(2)19(29)24-20-16(18(21)28)9-10-30-20)11-17(27)23-15-7-5-14(6-8-15)22-13(3)26/h5-10,12H,4,11H2,1-3H3,(H2,21,28)(H,22,26)(H,23,27)(H,24,29)