2-[(4-ethoxycarbonylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-ethoxycarbonylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-ethoxycarbonylphenyl)carbamothioyl-(2-thienylmethyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-ethoxycarbonylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-carbethoxyphenyl)thiocarbamoyl-(2-thenyl)amino]ethyl-dimethyl-ammonium Formula: C19H26N3O2S2+ MolecularWeight: 392.55864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=CC=CS2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=CC=CS2

InChI

InChI=1S/C19H25N3O2S2/c1-4-24-18(23)15-7-9-16(10-8-15)20-19(25)22(12-11-21(2)3)14-17-6-5-13-26-17/h5-10,13H,4,11-12,14H2,1-3H3,(H,20,25)/p+1