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

Systemtic Name: [(1S)-2-[(4-butylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(4-butylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(4-butylanilino)-sulfanylidenemethyl]amino]-1-(2-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(4-butylphenyl)carbamothioylamino]-1-(2-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(4-butylphenyl)thiocarbamoylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C22H32N3OS+ MolecularWeight: 386.57398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC(C2=CC=CC=C2OC)[NH+](C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC[C@H](C2=CC=CC=C2OC)[NH+](C)C

InChI

InChI=1S/C22H31N3OS/c1-5-6-9-17-12-14-18(15-13-17)24-22(27)23-16-20(25(2)3)19-10-7-8-11-21(19)26-4/h7-8,10-15,20H,5-6,9,16H2,1-4H3,(H2,23,24,27)/p+1/t20-/m1/s1