methyl N,N'-bis[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate

Systemtic Name: methyl N,N'-bis[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate Openeye Name: 1,3-bis[2-[(3-chloro-2-pyridyl)methylsulfanyl]ethyl]-2-methyl-isothiourea CAS Name: N,N'-bis[2-[(3-chloro-2-pyridinyl)methylthio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N,N'-bis[2-[(3-chloropyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate Traditional Name: 1,3-bis[2-[(3-chloro-2-pyridyl)methylthio]ethyl]-2-methyl-isothiourea Formula: C18H22Cl2N4S3 MolecularWeight: 461.49508

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSCC1=C(C=CC=N1)Cl)NCCSCC2=C(C=CC=N2)Cl

Isomeric SMILES

CSC(=NCCSCC1=C(C=CC=N1)Cl)NCCSCC2=C(C=CC=N2)Cl

InChI

InChI=1S/C18H22Cl2N4S3/c1-25-18(23-8-10-26-12-16-14(19)4-2-6-21-16)24-9-11-27-13-17-15(20)5-3-7-22-17/h2-7H,8-13H2,1H3,(H,23,24)