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

Systemtic Name: methyl N,N'-bis[2-[(3-methylpyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate Openeye Name: 2-methyl-1,3-bis[2-[(3-methyl-2-pyridyl)methylsulfanyl]ethyl]isothiourea CAS Name: N,N'-bis[2-[(3-methyl-2-pyridinyl)methylthio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N,N'-bis[2-[(3-methylpyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate Traditional Name: 2-methyl-1,3-bis[2-[(3-methyl-2-pyridyl)methylthio]ethyl]isothiourea Formula: C20H28N4S3 MolecularWeight: 420.65812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CSCCNC(=NCCSCC2=C(C=CC=N2)C)SC

Isomeric SMILES

CC1=C(N=CC=C1)CSCCNC(=NCCSCC2=C(C=CC=N2)C)SC

InChI

InChI=1S/C20H28N4S3/c1-16-6-4-8-21-18(16)14-26-12-10-23-20(25-3)24-11-13-27-15-19-17(2)7-5-9-22-19/h4-9H,10-15H2,1-3H3,(H,23,24)