dimethyl-[(1R)-2-[(3-nitro-4-phenylsulfanyl-phenyl)carbonylamino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[(3-nitro-4-phenylsulfanyl-phenyl)carbonylamino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[(3-nitro-4-phenylsulfanyl-benzoyl)amino]-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[[3-nitro-4-(phenylthio)phenyl]-oxomethyl]amino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[(3-nitro-4-phenylsulfanylbenzoyl)amino]-1-thiophen-2-ylethyl]azanium Traditional Name: dimethyl-[(1R)-2-[[3-nitro-4-(phenylthio)benzoyl]amino]-1-(2-thienyl)ethyl]ammonium Formula: C21H22N3O3S2+ MolecularWeight: 428.54768

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C21H21N3O3S2/c1-23(2)18(19-9-6-12-28-19)14-22-21(25)15-10-11-20(17(13-15)24(26)27)29-16-7-4-3-5-8-16/h3-13,18H,14H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1