3-[[4-(furan-2-ylcarbonylamino)-2,5-dimethoxy-phenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(furan-2-ylcarbonylamino)-2,5-dimethoxy-phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(furan-2-carbonylamino)-2,5-dimethoxy-phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[[2-furanyl(oxo)methyl]amino]-2,5-dimethoxyanilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[4-(2-furoylamino)-2,5-dimethoxy-phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C19H27N4O4S+ MolecularWeight: 407.50708

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=C(C=C(C(=C1)OC)NC(=O)C2=CC=CO2)OC

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=C(C=C(C(=C1)OC)NC(=O)C2=CC=CO2)OC

InChI

InChI=1S/C19H26N4O4S/c1-23(2)9-6-8-20-19(28)22-14-12-16(25-3)13(11-17(14)26-4)21-18(24)15-7-5-10-27-15/h5,7,10-12H,6,8-9H2,1-4H3,(H,21,24)(H2,20,22,28)/p+1