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

Systemtic Name: dimethyl-[2-[(phenylmethyl)-[(4-propan-2-ylphenyl)carbamothioyl]amino]ethyl]azanium Openeye Name: 2-[benzyl-[(4-isopropylphenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[(phenylmethyl)-[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: 2-[benzyl-[(4-propan-2-ylphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl(p-cumenylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C21H30N3S+ MolecularWeight: 356.548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3S/c1-17(2)19-10-12-20(13-11-19)22-21(25)24(15-14-23(3)4)16-18-8-6-5-7-9-18/h5-13,17H,14-16H2,1-4H3,(H,22,25)/p+1