dimethyl-[3-[[[4-(phenoxymethyl)phenyl]carbonylamino]carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[[4-(phenoxymethyl)phenyl]carbonylamino]carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[[4-(phenoxymethyl)benzoyl]amino]carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[[oxo-[4-(phenoxymethyl)phenyl]methyl]hydrazo]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[[4-(phenoxymethyl)benzoyl]amino]carbamothioylamino]propyl]azanium Traditional Name: dimethyl-[3-[[[4-(phenoxymethyl)benzoyl]amino]thiocarbamoylamino]propyl]ammonium Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NNC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CCCNC(=S)NNC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2

InChI

InChI=1S/C20H26N4O2S/c1-24(2)14-6-13-21-20(27)23-22-19(25)17-11-9-16(10-12-17)15-26-18-7-4-3-5-8-18/h3-5,7-12H,6,13-15H2,1-2H3,(H,22,25)(H2,21,23,27)/p+1