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

Systemtic Name: [(2S)-1-[(3-methoxyphenyl)carbamothioylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[(3-methoxyphenyl)carbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[(3-methoxyphenyl)carbamothioylamino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[(3-methoxyphenyl)thiocarbamoylamino]ethyl]-dimethyl-ammonium Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=S)NC2=CC(=CC=C2)OC

Isomeric SMILES

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC(=S)NC2=CC(=CC=C2)OC

InChI

InChI=1S/C19H25N3OS/c1-22(2)17(12-15-8-5-4-6-9-15)14-20-19(24)21-16-10-7-11-18(13-16)23-3/h4-11,13,17H,12,14H2,1-3H3,(H2,20,21,24)/p+1/t17-/m0/s1