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

Systemtic Name: 3-[(4-benzamido-2,5-dimethoxy-phenyl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(4-benzamido-2,5-dimethoxy-phenyl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-benzamido-2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-benzamido-2,5-dimethoxyphenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(4-benzamido-2,5-dimethoxy-phenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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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=CC=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3S/c1-25(2)12-8-11-22-21(29)24-17-14-18(27-3)16(13-19(17)28-4)23-20(26)15-9-6-5-7-10-15/h5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,23,26)(H2,22,24,29)/p+1