N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamide; ethanedioic acid

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamide; ethanedioic acid Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide; oxalic acid CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethyl-1-piperazinyl)acetamide; oxalic acid IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide; oxalic acid Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-ethylpiperazino)acetamide; oxalic acid Formula: C22H30N4O9S MolecularWeight: 526.56

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26N4OS.2C2H2O4/c1-3-21-6-8-22(9-7-21)12-17(23)20-18-15(11-19)14-5-4-13(2)10-16(14)24-18;2*3-1(4)2(5)6/h13H,3-10,12H2,1-2H3,(H,20,23);2*(H,3,4)(H,5,6)