dimethyl-[1-[[(4-phenoxyphenyl)carbamothioylamino]methyl]cyclohexyl]azanium

Systemtic Name: dimethyl-[1-[[(4-phenoxyphenyl)carbamothioylamino]methyl]cyclohexyl]azanium Openeye Name: dimethyl-[1-[[(4-phenoxyphenyl)carbamothioylamino]methyl]cyclohexyl]ammonium CAS Name: dimethyl-[1-[[[(4-phenoxyanilino)-sulfanylidenemethyl]amino]methyl]cyclohexyl]ammonium IUPAC Name: dimethyl-[1-[[(4-phenoxyphenyl)carbamothioylamino]methyl]cyclohexyl]azanium Traditional Name: dimethyl-[1-[[(4-phenoxyphenyl)thiocarbamoylamino]methyl]cyclohexyl]ammonium Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCC1)CNC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)C1(CCCCC1)CNC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H29N3OS/c1-25(2)22(15-7-4-8-16-22)17-23-21(27)24-18-11-13-20(14-12-18)26-19-9-5-3-6-10-19/h3,5-6,9-14H,4,7-8,15-17H2,1-2H3,(H2,23,24,27)/p+1