2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-(4-benzylsulfonylpiperazino)ethanone Formula: C21H23N5O3S3 MolecularWeight: 489.63402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NN=C(S2)NC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NN=C(S2)NC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3S3/c27-19(15-30-21-24-23-20(31-21)22-18-9-5-2-6-10-18)25-11-13-26(14-12-25)32(28,29)16-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,22,23)