3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[5-(1-azepanylsulfonyl)-2-methoxyanilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C19H33N4O3S2+ MolecularWeight: 429.62032

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C19H32N4O3S2/c1-22(2)12-8-11-20-19(27)21-17-15-16(9-10-18(17)26-3)28(24,25)23-13-6-4-5-7-14-23/h9-10,15H,4-8,11-14H2,1-3H3,(H2,20,21,27)/p+1