dimethyl-[3-[(4-phenoxyphenyl)carbamothioyl-(phenylmethyl)amino]propyl]azanium

Systemtic Name: dimethyl-[3-[(4-phenoxyphenyl)carbamothioyl-(phenylmethyl)amino]propyl]azanium Openeye Name: 3-[benzyl-[(4-phenoxyphenyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[(4-phenoxyanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]propyl]ammonium IUPAC Name: 3-[benzyl-[(4-phenoxyphenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[benzyl-[(4-phenoxyphenyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C25H30N3OS+ MolecularWeight: 420.5902

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN(CC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

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