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

Systemtic Name: 2-[[[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[[(5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[[(5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C16H27N4OS2+ MolecularWeight: 355.54178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4OS2/c1-4-11-5-6-13-12(9-11)10-14(23-13)15(21)18-19-16(22)17-7-8-20(2)3/h10-11H,4-9H2,1-3H3,(H,18,21)(H2,17,19,22)/p+1/t11-/m0/s1