[5-[2-[(3,4-dichlorophenyl)carbamoylamino]ethylsulfanylmethyl]furan-2-yl]methyl-dimethyl-azanium

Systemtic Name: [5-[2-[(3,4-dichlorophenyl)carbamoylamino]ethylsulfanylmethyl]furan-2-yl]methyl-dimethyl-azanium Openeye Name: [5-[2-[(3,4-dichlorophenyl)carbamoylamino]ethylsulfanylmethyl]-2-furyl]methyl-dimethyl-ammonium CAS Name: [5-[[2-[[(3,4-dichloroanilino)-oxomethyl]amino]ethylthio]methyl]-2-furanyl]methyl-dimethylammonium IUPAC Name: [5-[2-[(3,4-dichlorophenyl)carbamoylamino]ethylsulfanylmethyl]furan-2-yl]methyl-dimethylazanium Traditional Name: [5-[[2-[(3,4-dichlorophenyl)carbamoylamino]ethylthio]methyl]-2-furyl]methyl-dimethyl-ammonium Formula: C17H22Cl2N3O2S+ MolecularWeight: 403.34648

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(O1)CSCCNC(=O)NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C[NH+](C)CC1=CC=C(O1)CSCCNC(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H21Cl2N3O2S/c1-22(2)10-13-4-5-14(24-13)11-25-8-7-20-17(23)21-12-3-6-15(18)16(19)9-12/h3-6,9H,7-8,10-11H2,1-2H3,(H2,20,21,23)/p+1