3-[(5-methoxycarbonyl-2-methyl-phenyl)carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5-methoxycarbonyl-2-methyl-phenyl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(5-methoxycarbonyl-2-methyl-phenyl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[(5-methoxycarbonyl-2-methylanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(5-methoxycarbonyl-2-methylphenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(5-carbomethoxy-2-methyl-phenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C15H24N3O2S+ MolecularWeight: 310.43496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C15H23N3O2S/c1-11-6-7-12(14(19)20-4)10-13(11)17-15(21)16-8-5-9-18(2)3/h6-7,10H,5,8-9H2,1-4H3,(H2,16,17,21)/p+1