[(1R)-2-[(4-ethoxycarbonylphenyl)carbamothioylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[(4-ethoxycarbonylphenyl)carbamothioylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[(4-ethoxycarbonylphenyl)carbamothioylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[(4-ethoxycarbonylphenyl)carbamothioylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1R)-2-[(4-carbethoxyphenyl)thiocarbamoylamino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S/c1-4-25-19(24)16-10-12-17(13-11-16)22-20(26)21-14-18(23(2)3)15-8-6-5-7-9-15/h5-13,18H,4,14H2,1-3H3,(H2,21,22,26)/p+1/t18-/m0/s1