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

Systemtic Name: 3-[(3-methoxyphenyl)carbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzyl-[(3-methoxyphenyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3-methoxyanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[benzyl-[(3-methoxyphenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[benzyl-[(3-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(=CC=C2)OC

Isomeric SMILES

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

InChI

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