diethyl-[2-[[4-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]phenyl]carbonylamino]ethyl]azanium

Systemtic Name: diethyl-[2-[[4-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]phenyl]carbonylamino]ethyl]azanium Openeye Name: diethyl-[2-[[4-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]benzoyl]amino]ethyl]ammonium CAS Name: diethyl-[2-[[oxo-[4-[[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]amino]phenyl]methyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoyl]amino]ethyl]azanium Traditional Name: diethyl-[2-[[4-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]benzoyl]amino]ethyl]ammonium Formula: C27H30N5O2S+ MolecularWeight: 488.6244

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N5O2S/c1-3-31(4-2)17-16-28-26(33)20-12-14-21(15-13-20)29-27(34)23-19-32(22-9-6-5-7-10-22)30-25(23)24-11-8-18-35-24/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,28,33)(H,29,34)/p+1