[4-azanyl-3-(2-morpholin-4-ium-4-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone

Systemtic Name: [4-azanyl-3-(2-morpholin-4-ium-4-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone Openeye Name: [4-amino-3-(2-morpholin-4-ium-4-ylethylsulfanyl)thieno[2,3-c]isothiazol-5-yl]-(4-chlorophenyl)methanone CAS Name: [4-amino-3-[2-(4-morpholin-4-iumyl)ethylthio]-5-thieno[2,3-c]isothiazolyl]-(4-chlorophenyl)methanone IUPAC Name: [4-amino-3-(2-morpholin-4-ium-4-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone Traditional Name: [4-amino-3-(2-morpholin-4-ium-4-ylethylthio)thien[2,3-c]isothiazol-5-yl]-(4-chlorophenyl)methanone Formula: C18H19ClN3O2S3+ MolecularWeight: 441.01036

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=C3C(=C(SC3=NS2)C(=O)C4=CC=C(C=C4)Cl)N

Isomeric SMILES

C1COCC[NH+]1CCSC2=C3C(=C(SC3=NS2)C(=O)C4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C18H18ClN3O2S3/c19-12-3-1-11(2-4-12)15(23)16-14(20)13-17(26-16)21-27-18(13)25-10-7-22-5-8-24-9-6-22/h1-4H,5-10,20H2/p+1