N-[1-(azepan-1-ylcarbothioylamino)-2,2,2-tris(chloranyl)ethyl]-2-methyl-benzamide

Systemtic Name: N-[1-(azepan-1-ylcarbothioylamino)-2,2,2-tris(chloranyl)ethyl]-2-methyl-benzamide Openeye Name: N-[1-(azepane-1-carbothioylamino)-2,2,2-trichloro-ethyl]-2-methyl-benzamide CAS Name: N-[1-[[1-azepanyl(sulfanylidene)methyl]amino]-2,2,2-trichloroethyl]-2-methylbenzamide IUPAC Name: N-[1-(azepane-1-carbothioylamino)-2,2,2-trichloroethyl]-2-methylbenzamide Traditional Name: N-[1-(azepane-1-carbothioylamino)-2,2,2-trichloro-ethyl]-2-methyl-benzamide Formula: C17H22Cl3N3OS MolecularWeight: 422.80008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)N2CCCCCC2

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)N2CCCCCC2

InChI

InChI=1S/C17H22Cl3N3OS/c1-12-8-4-5-9-13(12)14(24)21-15(17(18,19)20)22-16(25)23-10-6-2-3-7-11-23/h4-5,8-9,15H,2-3,6-7,10-11H2,1H3,(H,21,24)(H,22,25)