2-(azepan-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(azepan-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(azepan-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(1-azepanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(azepan-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(azepan-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O3S/c20-14(10-18-7-3-1-2-4-8-18)17-15-16-12-6-5-11(19(21)22)9-13(12)23-15/h5-6,9H,1-4,7-8,10H2,(H,16,17,20)