3-[[4-(cyclopropylcarbonylamino)-2,5-diethoxy-phenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(cyclopropylcarbonylamino)-2,5-diethoxy-phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(cyclopropanecarbonylamino)-2,5-diethoxy-phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[[cyclopropyl(oxo)methyl]amino]-2,5-diethoxyanilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[4-(cyclopropanecarbonylamino)-2,5-diethoxy-phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C20H33N4O3S+ MolecularWeight: 409.56602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2CC2)OCC)NC(=S)NCCC[NH+](C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2CC2)OCC)NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C20H32N4O3S/c1-5-26-17-13-16(23-20(28)21-10-7-11-24(3)4)18(27-6-2)12-15(17)22-19(25)14-8-9-14/h12-14H,5-11H2,1-4H3,(H,22,25)(H2,21,23,28)/p+1