dimethyl-[3-[(phenylmethyl)-[(4-propan-2-ylphenyl)carbamothioyl]amino]propyl]azanium

Systemtic Name: dimethyl-[3-[(phenylmethyl)-[(4-propan-2-ylphenyl)carbamothioyl]amino]propyl]azanium Openeye Name: 3-[benzyl-[(4-isopropylphenyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[(phenylmethyl)-[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: 3-[benzyl-[(4-propan-2-ylphenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[benzyl(p-cumenylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C22H32N3S+ MolecularWeight: 370.57458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC=CC=C2

InChI

InChI=1S/C22H31N3S/c1-18(2)20-11-13-21(14-12-20)23-22(26)25(16-8-15-24(3)4)17-19-9-6-5-7-10-19/h5-7,9-14,18H,8,15-17H2,1-4H3,(H,23,26)/p+1