(1S,2R)-N-methyl-2-[2-[(N'-methyl-N-methylsulfonyl-carbamimidoyl)amino]ethyl]-1-pyridin-3-yl-cyclohexane-1-carbothioamide

Systemtic Name: (1S,2R)-N-methyl-2-[2-[(N'-methyl-N-methylsulfonyl-carbamimidoyl)amino]ethyl]-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: (1S,2R)-N-methyl-2-[2-[(N'-methyl-N-methylsulfonyl-carbamimidoyl)amino]ethyl]-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: (1S,2R)-2-[2-[[methanesulfonamido(methylimino)methyl]amino]ethyl]-N-methyl-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: (1S,2R)-N-methyl-2-[2-[(N'-methyl-N-methylsulfonylcarbamimidoyl)amino]ethyl]-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: (1S,2R)-2-[2-[(N-mesyl-N'-methyl-amidino)amino]ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C18H29N5O2S2 MolecularWeight: 411.58516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1CCNC(=NC)NS(=O)(=O)C)C2=CN=CC=C2

Isomeric SMILES

CNC(=S)[C@]1(CCCC[C@@H]1CCNC(=NC)NS(=O)(=O)C)C2=CN=CC=C2

InChI

InChI=1S/C18H29N5O2S2/c1-19-16(26)18(15-8-6-11-21-13-15)10-5-4-7-14(18)9-12-22-17(20-2)23-27(3,24)25/h6,8,11,13-14H,4-5,7,9-10,12H2,1-3H3,(H,19,26)(H2,20,22,23)/t14-,18+/m1/s1