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

Systemtic Name: dimethyl-[3-[(4-propan-2-ylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl]azanium Openeye Name: 3-[(4-isopropylphenyl)carbamothioyl-(2-thienylmethyl)amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(4-propan-2-ylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl]azanium Traditional Name: dimethyl-[3-[p-cumenylthiocarbamoyl(2-thenyl)amino]propyl]ammonium Formula: C20H30N3S2+ MolecularWeight: 376.6023

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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=CS2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC=CS2

InChI

InChI=1S/C20H29N3S2/c1-16(2)17-8-10-18(11-9-17)21-20(24)23(13-6-12-22(3)4)15-19-7-5-14-25-19/h5,7-11,14,16H,6,12-13,15H2,1-4H3,(H,21,24)/p+1