dimethyl-[(2S)-1-phenyl-3-[(4-propan-2-ylphenyl)carbamothioylamino]propan-2-yl]azanium

Systemtic Name: dimethyl-[(2S)-1-phenyl-3-[(4-propan-2-ylphenyl)carbamothioylamino]propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[(4-isopropylphenyl)carbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-1-phenyl-3-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]propan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-1-phenyl-3-[(4-propan-2-ylphenyl)carbamothioylamino]propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-(p-cumenylthiocarbamoylamino)ethyl]-dimethyl-ammonium Formula: C21H30N3S+ MolecularWeight: 356.548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NCC(CC2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NC[C@H](CC2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C21H29N3S/c1-16(2)18-10-12-19(13-11-18)23-21(25)22-15-20(24(3)4)14-17-8-6-5-7-9-17/h5-13,16,20H,14-15H2,1-4H3,(H2,22,23,25)/p+1/t20-/m0/s1