2-[[4-chloranyl-3-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[4-chloranyl-3-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[4-chloro-3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[4-chloro-3-(2-thenoylamino)benzoyl]amino]ethyl-diisopropyl-ammonium Formula: C20H27ClN3O2S+ MolecularWeight: 408.96528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=CS2)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=CS2)C(C)C

InChI

InChI=1S/C20H26ClN3O2S/c1-13(2)24(14(3)4)10-9-22-19(25)15-7-8-16(21)17(12-15)23-20(26)18-6-5-11-27-18/h5-8,11-14H,9-10H2,1-4H3,(H,22,25)(H,23,26)/p+1