diethyl-[[4-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[(3,4,5-triethoxybenzoyl)carbamothioylamino]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[(3,4,5-triethoxybenzoyl)carbamothioylamino]phenyl]methyl]azanium Traditional Name: diethyl-[4-[(3,4,5-triethoxybenzoyl)thiocarbamoylamino]benzyl]ammonium Formula: C25H36N3O4S+ MolecularWeight: 474.63604

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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)OCC)OCC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O4S/c1-6-28(7-2)17-18-11-13-20(14-12-18)26-25(33)27-24(29)19-15-21(30-8-3)23(32-10-5)22(16-19)31-9-4/h11-16H,6-10,17H2,1-5H3,(H2,26,27,29,33)/p+1