[4-[[(4-ethoxyphenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[(4-ethoxyphenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[(4-ethoxyphenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[(4-ethoxyphenyl)carbamothioylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: diethyl-[4-[(p-phenetylthiocarbamoylamino)methyl]benzyl]ammonium Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)OCC

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)OCC

InChI

InChI=1S/C21H29N3OS/c1-4-24(5-2)16-18-9-7-17(8-10-18)15-22-21(26)23-19-11-13-20(14-12-19)25-6-3/h7-14H,4-6,15-16H2,1-3H3,(H2,22,23,26)/p+1