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

Systemtic Name: dimethyl-[(2S)-1-[(4-methylphenyl)carbamothioylamino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-(p-tolylcarbamothioylamino)ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-1-[[(4-methylanilino)-sulfanylidenemethyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-1-[(4-methylphenyl)carbamothioylamino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-(p-tolylthiocarbamoylamino)ethyl]-dimethyl-ammonium Formula: C19H26N3S+ MolecularWeight: 328.49484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NCC(CC2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC[C@H](CC2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C19H25N3S/c1-15-9-11-17(12-10-15)21-19(23)20-14-18(22(2)3)13-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H2,20,21,23)/p+1/t18-/m0/s1