dimethyl-[(1R)-1-phenyl-2-[(4-propan-2-ylphenyl)carbamothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[(1R)-1-phenyl-2-[(4-propan-2-ylphenyl)carbamothioylamino]ethyl]azanium Openeye Name: [(1R)-2-[(4-isopropylphenyl)carbamothioylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1R)-1-phenyl-2-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[(1R)-1-phenyl-2-[(4-propan-2-ylphenyl)carbamothioylamino]ethyl]azanium Traditional Name: dimethyl-[(1R)-2-(p-cumenylthiocarbamoylamino)-1-phenyl-ethyl]ammonium Formula: C20H28N3S+ MolecularWeight: 342.52142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NCC(C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NC[C@@H](C2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C20H27N3S/c1-15(2)16-10-12-18(13-11-16)22-20(24)21-14-19(23(3)4)17-8-6-5-7-9-17/h5-13,15,19H,14H2,1-4H3,(H2,21,22,24)/p+1/t19-/m0/s1