N-(azepan-1-ylcarbothioyl)-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-4-chloranyl-3-nitro-benzamide Openeye Name: N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-(azepane-1-carbothioyl)-4-chloro-3-nitrobenzamide Traditional Name: N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide Formula: C14H16ClN3O3S MolecularWeight: 341.81314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O3S/c15-11-6-5-10(9-12(11)18(20)21)13(19)16-14(22)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8H2,(H,16,19,22)