4-(azepan-1-yl)-3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-[4-(2-pyridyl)thiazol-2-yl]benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-[4-(2-pyridinyl)-2-thiazolyl]benzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-yl)-3-nitro-N-[4-(2-pyridyl)thiazol-2-yl]benzamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3S/c27-20(24-21-23-17(14-30-21)16-7-3-4-10-22-16)15-8-9-18(19(13-15)26(28)29)25-11-5-1-2-6-12-25/h3-4,7-10,13-14H,1-2,5-6,11-12H2,(H,23,24,27)