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

Systemtic Name: 3-[(4-ethoxycarbonylphenyl)carbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzyl-[(4-ethoxycarbonylphenyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[benzyl-[(4-ethoxycarbonylphenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[benzyl-[(4-carbethoxyphenyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC=CC=C2

InChI

InChI=1S/C22H29N3O2S/c1-4-27-21(26)19-11-13-20(14-12-19)23-22(28)25(16-8-15-24(2)3)17-18-9-6-5-7-10-18/h5-7,9-14H,4,8,15-17H2,1-3H3,(H,23,28)/p+1