2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: 2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C18H23ClN5O3S3+ MolecularWeight: 489.05492

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NN=C(S3)SCC=C

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NN=C(S3)SCC=C

InChI

InChI=1S/C18H22ClN5O3S3/c1-3-11-28-18-22-21-17(29-18)20-16(25)14-12-13(5-6-15(14)19)30(26,27)24-9-7-23(4-2)8-10-24/h3,5-6,12H,1,4,7-11H2,2H3,(H,20,21,25)/p+1