2-[[(4-methoxyphenyl)-[(4-propan-2-ylphenyl)methyl]carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(4-methoxyphenyl)-[(4-propan-2-ylphenyl)methyl]carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(4-isopropylphenyl)methyl-(4-methoxyphenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-methoxy-N-[(4-propan-2-ylphenyl)methyl]anilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(4-methoxyphenyl)-[(4-propan-2-ylphenyl)methyl]carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(4-isopropylbenzyl)-(4-methoxyphenyl)thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C22H32N3OS+ MolecularWeight: 386.57398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)OC)C(=S)NCC[NH+](C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)OC)C(=S)NCC[NH+](C)C

InChI

InChI=1S/C22H31N3OS/c1-17(2)19-8-6-18(7-9-19)16-25(22(27)23-14-15-24(3)4)20-10-12-21(26-5)13-11-20/h6-13,17H,14-16H2,1-5H3,(H,23,27)/p+1