2-[(4-butoxycarbonylphenyl)carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-butoxycarbonylphenyl)carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-butoxycarbonylphenyl)carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-[butoxy(oxo)methyl]anilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-butoxycarbonylphenyl)carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(4-butoxycarbonylphenyl)thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C16H26N3O2S+ MolecularWeight: 324.46154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NCC[NH+](C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NCC[NH+](C)C

InChI

InChI=1S/C16H25N3O2S/c1-4-5-12-21-15(20)13-6-8-14(9-7-13)18-16(22)17-10-11-19(2)3/h6-9H,4-5,10-12H2,1-3H3,(H2,17,18,22)/p+1