N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-[(4-phenyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-(4-phenylpiperazino)sulfonyl-benzamide Formula: C21H23N5O3S3 MolecularWeight: 489.63402

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3S3/c1-2-30-21-24-23-20(31-21)22-19(27)16-7-6-10-18(15-16)32(28,29)26-13-11-25(12-14-26)17-8-4-3-5-9-17/h3-10,15H,2,11-14H2,1H3,(H,22,23,27)