N-(azepan-1-ylcarbothioyl)-3-nitro-benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-3-nitro-benzamide Openeye Name: N-(azepane-1-carbothioyl)-3-nitro-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-3-nitrobenzamide IUPAC Name: N-(azepane-1-carbothioyl)-3-nitrobenzamide Traditional Name: N-(azepane-1-carbothioyl)-3-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(11-6-5-7-12(10-11)17(19)20)15-14(21)16-8-3-1-2-4-9-16/h5-7,10H,1-4,8-9H2,(H,15,18,21)