N-[2-(2-aminophenyl)-1-(3-methylthiophen-2-yl)ethyl]-2-azanyl-N-ethyl-ethanamide; (E)-but-2-enedioic acid

Systemtic Name: N-[2-(2-aminophenyl)-1-(3-methylthiophen-2-yl)ethyl]-2-azanyl-N-ethyl-ethanamide; (E)-but-2-enedioic acid Openeye Name: 2-amino-N-[2-(2-aminophenyl)-1-(3-methyl-2-thienyl)ethyl]-N-ethyl-acetamide; fumaric acid CAS Name: 2-amino-N-[2-(2-aminophenyl)-1-(3-methyl-2-thiophenyl)ethyl]-N-ethylacetamide; (E)-2-butenedioic acid IUPAC Name: 2-amino-N-[2-(2-aminophenyl)-1-(3-methylthiophen-2-yl)ethyl]-N-ethylacetamide; (E)-but-2-enedioic acid Traditional Name: 2-amino-N-[2-(2-aminophenyl)-1-(3-methyl-2-thienyl)ethyl]-N-ethyl-acetamide; fumaric acid Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(CC1=CC=CC=C1N)C2=C(C=CS2)C)C(=O)CN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(C(CC1=CC=CC=C1N)C2=C(C=CS2)C)C(=O)CN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H23N3OS.C4H4O4/c1-3-20(16(21)11-18)15(17-12(2)8-9-22-17)10-13-6-4-5-7-14(13)19;5-3(6)1-2-4(7)8/h4-9,15H,3,10-11,18-19H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+