2-[(4-ethoxyphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(4-ethoxyphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-ethoxyphenyl)carbamothioyl-(2-thienylmethyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(4-ethoxyanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]ethyl-diethylammonium IUPAC Name: 2-[(4-ethoxyphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[p-phenetylthiocarbamoyl(2-thenyl)amino]ethyl]ammonium Formula: C20H30N3OS2+ MolecularWeight: 392.6017

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(CC1=CC=CS1)C(=S)NC2=CC=C(C=C2)OCC

Isomeric SMILES

CC[NH+](CC)CCN(CC1=CC=CS1)C(=S)NC2=CC=C(C=C2)OCC

InChI

InChI=1S/C20H29N3OS2/c1-4-22(5-2)13-14-23(16-19-8-7-15-26-19)20(25)21-17-9-11-18(12-10-17)24-6-3/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,21,25)/p+1