[(2S)-1-[[4-chloranyl-3-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[[4-chloranyl-3-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[[4-chloro-3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-oxomethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[[4-chloro-3-(2-thenoylamino)benzoyl]amino]ethyl]-dimethyl-ammonium Formula: C23H25ClN3O2S+ MolecularWeight: 442.9815

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3

Isomeric SMILES

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3

InChI

InChI=1S/C23H24ClN3O2S/c1-27(2)18(13-16-7-4-3-5-8-16)15-25-22(28)17-10-11-19(24)20(14-17)26-23(29)21-9-6-12-30-21/h3-12,14,18H,13,15H2,1-2H3,(H,25,28)(H,26,29)/p+1/t18-/m0/s1