N-[2,6-bis(chloranyl)phenyl]azepane-1-carbothioamide

Systemtic Name: N-[2,6-bis(chloranyl)phenyl]azepane-1-carbothioamide Openeye Name: N-(2,6-dichlorophenyl)azepane-1-carbothioamide CAS Name: N-(2,6-dichlorophenyl)-1-azepanecarbothioamide IUPAC Name: N-(2,6-dichlorophenyl)azepane-1-carbothioamide Traditional Name: N-(2,6-dichlorophenyl)azepane-1-carbothioamide Formula: C13H16Cl2N2S MolecularWeight: 303.25054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

C1CCCN(CC1)C(=S)NC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C13H16Cl2N2S/c14-10-6-5-7-11(15)12(10)16-13(18)17-8-3-1-2-4-9-17/h5-7H,1-4,8-9H2,(H,16,18)