3-[(4-methoxyphenyl)carbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-methoxyphenyl)carbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzyl-[(4-methoxyphenyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-methoxyanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[benzyl-[(4-methoxyphenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[benzyl-[(4-methoxyphenyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+](C)CCCN(CC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H27N3OS/c1-22(2)14-7-15-23(16-17-8-5-4-6-9-17)20(25)21-18-10-12-19(24-3)13-11-18/h4-6,8-13H,7,14-16H2,1-3H3,(H,21,25)/p+1