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

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-yl)-3-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NN=CS3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NN=CS3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O3S/c21-14(17-15-18-16-10-24-15)11-5-6-12(13(9-11)20(22)23)19-7-3-1-2-4-8-19/h5-6,9-10H,1-4,7-8H2,(H,17,18,21)