3-[[4-(3,4-dimethylphenyl)sulfanylphenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(3,4-dimethylphenyl)sulfanylphenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(3,4-dimethylphenyl)sulfanylphenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[(3,4-dimethylphenyl)thio]anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(3,4-dimethylphenyl)sulfanylphenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[4-[(3,4-dimethylphenyl)thio]phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C20H28N3S2+ MolecularWeight: 374.58642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=S)NCCC[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=S)NCCC[NH+](C)C)C

InChI

InChI=1S/C20H27N3S2/c1-15-6-9-19(14-16(15)2)25-18-10-7-17(8-11-18)22-20(24)21-12-5-13-23(3)4/h6-11,14H,5,12-13H2,1-4H3,(H2,21,22,24)/p+1