diethyl-[2-[[4-(pyridin-3-ylcarbonylcarbamothioylamino)phenyl]carbonylamino]ethyl]azanium

Systemtic Name: diethyl-[2-[[4-(pyridin-3-ylcarbonylcarbamothioylamino)phenyl]carbonylamino]ethyl]azanium Openeye Name: diethyl-[2-[[4-(pyridine-3-carbonylcarbamothioylamino)benzoyl]amino]ethyl]ammonium CAS Name: diethyl-[2-[[oxo-[4-[[[[oxo(3-pyridinyl)methyl]amino]-sulfanylidenemethyl]amino]phenyl]methyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[[4-(pyridine-3-carbonylcarbamothioylamino)benzoyl]amino]ethyl]azanium Traditional Name: diethyl-[2-[[4-(nicotinoylthiocarbamoylamino)benzoyl]amino]ethyl]ammonium Formula: C20H26N5O2S+ MolecularWeight: 400.51774

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C20H25N5O2S/c1-3-25(4-2)13-12-22-18(26)15-7-9-17(10-8-15)23-20(28)24-19(27)16-6-5-11-21-14-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,26)(H2,23,24,27,28)/p+1