dimethyl-[(1S)-2-[(2-methylphenyl)carbamothioylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(2-methylphenyl)carbamothioylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-(o-tolylcarbamothioylamino)-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[(2-methylanilino)-sulfanylidenemethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(2-methylphenyl)carbamothioylamino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-(o-tolylthiocarbamoylamino)-1-phenyl-ethyl]ammonium Formula: C18H24N3S+ MolecularWeight: 314.46826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NCC(C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC[C@H](C2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C18H23N3S/c1-14-9-7-8-12-16(14)20-18(22)19-13-17(21(2)3)15-10-5-4-6-11-15/h4-12,17H,13H2,1-3H3,(H2,19,20,22)/p+1/t17-/m1/s1