[(1S)-2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(2-chloro-5-morpholinosulfonyl-phenyl)carbamothioylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[2-chloro-5-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(2-chloro-5-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(2-chloro-5-morpholinosulfonyl-phenyl)thiocarbamoylamino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H28ClN4O3S2+ MolecularWeight: 484.05502

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H27ClN4O3S2/c1-25(2)20(16-6-4-3-5-7-16)15-23-21(30)24-19-14-17(8-9-18(19)22)31(27,28)26-10-12-29-13-11-26/h3-9,14,20H,10-13,15H2,1-2H3,(H2,23,24,30)/p+1/t20-/m1/s1