dimethyl-[(1S)-1-phenyl-2-[[4-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[[4-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-[4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]methyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[[4-(2-thenoylamino)benzoyl]amino]ethyl]ammonium Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O2S/c1-25(2)19(16-7-4-3-5-8-16)15-23-21(26)17-10-12-18(13-11-17)24-22(27)20-9-6-14-28-20/h3-14,19H,15H2,1-2H3,(H,23,26)(H,24,27)/p+1/t19-/m1/s1