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

Systemtic Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone Openeye Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(m-tolyl)piperazin-1-yl]ethanone CAS Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-[4-(3-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-[4-(m-tolyl)piperazino]ethanone Formula: C21H23N5OS2 MolecularWeight: 425.57022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CSC3=NN=C(S3)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CSC3=NN=C(S3)NC4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS2/c1-16-6-5-9-18(14-16)25-10-12-26(13-11-25)19(27)15-28-21-24-23-20(29-21)22-17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3,(H,22,23)