dimethyl-[2-[[phenyl-[(4-phenylmethoxyphenyl)methyl]carbamothioyl]amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[phenyl-[(4-phenylmethoxyphenyl)methyl]carbamothioyl]amino]ethyl]azanium Openeye Name: 2-[[(4-benzyloxyphenyl)methyl-phenyl-carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[[N-[(4-phenylmethoxyphenyl)methyl]anilino]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[phenyl-[(4-phenylmethoxyphenyl)methyl]carbamothioyl]amino]ethyl]azanium Traditional Name: 2-[[(4-benzoxybenzyl)-phenyl-thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C25H30N3OS+ MolecularWeight: 420.5902

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCNC(=S)N(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3OS/c1-27(2)18-17-26-25(30)28(23-11-7-4-8-12-23)19-21-13-15-24(16-14-21)29-20-22-9-5-3-6-10-22/h3-16H,17-20H2,1-2H3,(H,26,30)/p+1