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

Systemtic Name: [(2S)-1-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[(3-chloro-4-methyl-phenyl)carbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[(3-chloro-4-methylphenyl)carbamothioylamino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]ethyl]-dimethyl-ammonium Formula: C19H25ClN3S+ MolecularWeight: 362.9399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3S/c1-14-9-10-16(12-18(14)20)22-19(24)21-13-17(23(2)3)11-15-7-5-4-6-8-15/h4-10,12,17H,11,13H2,1-3H3,(H2,21,22,24)/p+1/t17-/m0/s1