3-[[[(5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[[(5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[[(5R)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[[(5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[(5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[[(5R)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C17H29N4OS2+ MolecularWeight: 369.56836

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NNC(=S)NCCC[NH+](C)C

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)C=C(S2)C(=O)NNC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C17H28N4OS2/c1-4-12-6-7-14-13(10-12)11-15(24-14)16(22)19-20-17(23)18-8-5-9-21(2)3/h11-12H,4-10H2,1-3H3,(H,19,22)(H2,18,20,23)/p+1/t12-/m1/s1