[(1S)-1-(3-methoxyphenyl)-2-[(4-propan-2-ylphenyl)carbamothioylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(3-methoxyphenyl)-2-[(4-propan-2-ylphenyl)carbamothioylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(4-isopropylphenyl)carbamothioylamino]-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(3-methoxyphenyl)-2-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(3-methoxyphenyl)-2-[(4-propan-2-ylphenyl)carbamothioylamino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(3-methoxyphenyl)-2-(p-cumenylthiocarbamoylamino)ethyl]-dimethyl-ammonium Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3OS/c1-15(2)16-9-11-18(12-10-16)23-21(26)22-14-20(24(3)4)17-7-6-8-19(13-17)25-5/h6-13,15,20H,14H2,1-5H3,(H2,22,23,26)/p+1/t20-/m1/s1