N-[1-(azepan-1-ylcarbothioylamino)-2,2,2-tris(chloranyl)ethyl]naphthalene-1-carboxamide

Systemtic Name: N-[1-(azepan-1-ylcarbothioylamino)-2,2,2-tris(chloranyl)ethyl]naphthalene-1-carboxamide Openeye Name: N-[1-(azepane-1-carbothioylamino)-2,2,2-trichloro-ethyl]naphthalene-1-carboxamide CAS Name: N-[1-[[1-azepanyl(sulfanylidene)methyl]amino]-2,2,2-trichloroethyl]-1-naphthalenecarboxamide IUPAC Name: N-[1-(azepane-1-carbothioylamino)-2,2,2-trichloroethyl]naphthalene-1-carboxamide Traditional Name: N-[1-(azepane-1-carbothioylamino)-2,2,2-trichloro-ethyl]-1-naphthamide Formula: C20H22Cl3N3OS MolecularWeight: 458.83218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

C1CCCN(CC1)C(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H22Cl3N3OS/c21-20(22,23)18(25-19(28)26-12-5-1-2-6-13-26)24-17(27)16-11-7-9-14-8-3-4-10-15(14)16/h3-4,7-11,18H,1-2,5-6,12-13H2,(H,24,27)(H,25,28)