dimethyl-[3-[[(3-methyl-1-benzofuran-2-yl)carbonylamino]carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(3-methyl-1-benzofuran-2-yl)carbonylamino]carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[(3-methylbenzofuran-2-carbonyl)amino]carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[[(3-methyl-2-benzofuranyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamothioylamino]propyl]azanium Traditional Name: dimethyl-[3-[[(3-methylbenzofuran-2-carbonyl)amino]thiocarbamoylamino]propyl]ammonium Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C16H22N4O2S/c1-11-12-7-4-5-8-13(12)22-14(11)15(21)18-19-16(23)17-9-6-10-20(2)3/h4-5,7-8H,6,9-10H2,1-3H3,(H,18,21)(H2,17,19,23)/p+1