3-[(4-ethoxyphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-ethoxyphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-ethoxyphenyl)carbamothioyl-(2-thienylmethyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-ethoxyanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-ethoxyphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethylazanium Traditional Name: dimethyl-[3-[p-phenetylthiocarbamoyl(2-thenyl)amino]propyl]ammonium Formula: C19H28N3OS2+ MolecularWeight: 378.57512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC=CS2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC=CS2

InChI

InChI=1S/C19H27N3OS2/c1-4-23-17-10-8-16(9-11-17)20-19(24)22(13-6-12-21(2)3)15-18-7-5-14-25-18/h5,7-11,14H,4,6,12-13,15H2,1-3H3,(H,20,24)/p+1