N-[4-(azepan-1-yl)phenyl]-2-(thiophen-2-ylmethylamino)ethanamide; ethanedioic acid

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(thiophen-2-ylmethylamino)ethanamide; ethanedioic acid Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(2-thienylmethylamino)acetamide; oxalic acid CAS Name: N-[4-(1-azepanyl)phenyl]-2-(thiophen-2-ylmethylamino)acetamide; oxalic acid IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(thiophen-2-ylmethylamino)acetamide; oxalic acid Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(2-thenylamino)acetamide; oxalic acid Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CNCC3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CNCC3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25N3OS.C2H2O4/c23-19(15-20-14-18-6-5-13-24-18)21-16-7-9-17(10-8-16)22-11-3-1-2-4-12-22;3-1(4)2(5)6/h5-10,13,20H,1-4,11-12,14-15H2,(H,21,23);(H,3,4)(H,5,6)