[(1S)-2-[(4-ethoxycarbonylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(4-ethoxycarbonylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(4-ethoxycarbonylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]-1-(2-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(4-ethoxycarbonylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(4-carbethoxyphenyl)thiocarbamoylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC(C2=CC=CC=C2OC)[NH+](C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC[C@H](C2=CC=CC=C2OC)[NH+](C)C

InChI

InChI=1S/C21H27N3O3S/c1-5-27-20(25)15-10-12-16(13-11-15)23-21(28)22-14-18(24(2)3)17-8-6-7-9-19(17)26-4/h6-13,18H,5,14H2,1-4H3,(H2,22,23,28)/p+1/t18-/m1/s1