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

Systemtic Name: dimethyl-[(2S)-1-phenyl-3-[[4-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-1-[[oxo-[4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]methyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-1-phenyl-3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[[4-(2-thenoylamino)benzoyl]amino]ethyl]-dimethyl-ammonium Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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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)NC(=O)C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2S/c1-26(2)20(15-17-7-4-3-5-8-17)16-24-22(27)18-10-12-19(13-11-18)25-23(28)21-9-6-14-29-21/h3-14,20H,15-16H2,1-2H3,(H,24,27)(H,25,28)/p+1/t20-/m0/s1