[2,2-dimethyl-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]propyl]-dimethyl-azanium

Systemtic Name: [2,2-dimethyl-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]propyl]-dimethyl-azanium Openeye Name: [2,2-dimethyl-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]propyl]-dimethyl-ammonium CAS Name: [2,2-dimethyl-3-[[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]amino]propyl]-dimethylammonium IUPAC Name: [2,2-dimethyl-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]propyl]-dimethylazanium Traditional Name: [2,2-dimethyl-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoylamino]propyl]-dimethyl-ammonium Formula: C22H29N4S2+ MolecularWeight: 413.62246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NCC(C)(C)C[NH+](C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NCC(C)(C)C[NH+](C)C

InChI

InChI=1S/C22H28N4S2/c1-15-6-11-18-19(12-15)28-20(25-18)16-7-9-17(10-8-16)24-21(27)23-13-22(2,3)14-26(4)5/h6-12H,13-14H2,1-5H3,(H2,23,24,27)/p+1