N-(azepan-1-ylcarbothioyl)-2-nitro-benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-2-nitro-benzamide Openeye Name: N-(azepane-1-carbothioyl)-2-nitro-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-2-nitrobenzamide IUPAC Name: N-(azepane-1-carbothioyl)-2-nitrobenzamide Traditional Name: N-(azepane-1-carbothioyl)-2-nitro-benzamide Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O3S/c18-13(11-7-3-4-8-12(11)17(19)20)15-14(21)16-9-5-1-2-6-10-16/h3-4,7-8H,1-2,5-6,9-10H2,(H,15,18,21)