N-(azepan-1-ylcarbothioyl)-4-nitro-benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-4-nitro-benzamide Openeye Name: N-(azepane-1-carbothioyl)-4-nitro-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-4-nitrobenzamide IUPAC Name: N-(azepane-1-carbothioyl)-4-nitrobenzamide Traditional Name: N-(azepane-1-carbothioyl)-4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S/c18-13(11-5-7-12(8-6-11)17(19)20)15-14(21)16-9-3-1-2-4-10-16/h5-8H,1-4,9-10H2,(H,15,18,21)