diethyl-[2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylcarbamothioylamino]ethyl]azanium

Systemtic Name: diethyl-[2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylcarbamothioylamino]ethyl]azanium Openeye Name: diethyl-[2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]carbamothioylamino]ethyl]ammonium CAS Name: diethyl-[2-[[[[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]carbamothioylamino]ethyl]azanium Traditional Name: diethyl-[2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]thiocarbamoylamino]ethyl]ammonium Formula: C24H30N5O2S+ MolecularWeight: 452.5923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=S)NC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCNC(=S)NC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C24H29N5O2S/c1-4-28(5-2)16-15-25-24(32)26-23(30)21-17-29(19-9-7-6-8-10-19)27-22(21)18-11-13-20(31-3)14-12-18/h6-14,17H,4-5,15-16H2,1-3H3,(H2,25,26,30,32)/p+1