diethyl-[[2-[[(4-ethylphenyl)carbamothioylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[2-[[(4-ethylphenyl)carbamothioylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-[[(4-ethylphenyl)carbamothioylamino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-[[[(4-ethylanilino)-sulfanylidenemethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-[[(4-ethylphenyl)carbamothioylamino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[2-[[(4-ethylphenyl)thiocarbamoylamino]methyl]benzyl]ammonium Formula: C21H30N3S+ MolecularWeight: 356.548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2C[NH+](CC)CC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2C[NH+](CC)CC

InChI

InChI=1S/C21H29N3S/c1-4-17-11-13-20(14-12-17)23-21(25)22-15-18-9-7-8-10-19(18)16-24(5-2)6-3/h7-14H,4-6,15-16H2,1-3H3,(H2,22,23,25)/p+1