[4-[(3,4-dimethoxyphenyl)carbonylcarbamothioylamino]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[(3,4-dimethoxyphenyl)carbonylcarbamothioylamino]phenyl]methyl-diethyl-azanium Openeye Name: [4-[(3,4-dimethoxybenzoyl)carbamothioylamino]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]methyl-diethylammonium IUPAC Name: [4-[(3,4-dimethoxybenzoyl)carbamothioylamino]phenyl]methyl-diethylazanium Traditional Name: diethyl-[4-(veratroylthiocarbamoylamino)benzyl]ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H27N3O3S/c1-5-24(6-2)14-15-7-10-17(11-8-15)22-21(28)23-20(25)16-9-12-18(26-3)19(13-16)27-4/h7-13H,5-6,14H2,1-4H3,(H2,22,23,25,28)/p+1