3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-yl]benzamide

Systemtic Name: 3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-yl]benzamide Openeye Name: N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: 3-[(4-methyl-1-piperazinyl)sulfonyl]-N-[3-(phenylmethylthio)-1,2,4-thiadiazol-5-yl]benzamide IUPAC Name: N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[3-(benzylthio)-1,2,4-thiadiazol-5-yl]-3-(4-methylpiperazino)sulfonyl-benzamide Formula: C21H23N5O3S3 MolecularWeight: 489.63402

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=NS3)SCC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=NS3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3S3/c1-25-10-12-26(13-11-25)32(28,29)18-9-5-8-17(14-18)19(27)22-20-23-21(24-31-20)30-15-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H,22,23,24,27)