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2-(azepan-1-yl)-N-(1,3-benzothiazol-2-yl)ethanamide; ethanedioic acid

2-(azepan-1-yl)-N-(1,3-benzothiazol-2-yl)ethanamide; ethanedioic acid

Systemtic Name:2-(azepan-1-yl)-N-(1,3-benzothiazol-2-yl)ethanamide; ethanedioic acid
Openeye Name:2-(azepan-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide; oxalic acid
CAS Name:2-(1-azepanyl)-N-(1,3-benzothiazol-2-yl)acetamide; oxalic acid
IUPAC Name:2-(azepan-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide; oxalic acid
Traditional Name:2-(azepan-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide; oxalic acid
Formula: C17H21N3O5S
MolecularWeight: 379.43074
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)NC2=NC3=CC=CC=C3S2.C(=O)(C(=O)O)O


Isomeric SMILES

C1CCCN(CC1)CC(=O)NC2=NC3=CC=CC=C3S2.C(=O)(C(=O)O)O


InChI

InChI=1S/C15H19N3OS.C2H2O4/c19-14(11-18-9-5-1-2-6-10-18)17-15-16-12-7-3-4-8-13(12)20-15;3-1(4)2(5)6/h3-4,7-8H,1-2,5-6,9-11H2,(H,16,17,19);(H,3,4)(H,5,6)


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