N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[(4-methyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-methylpiperazino)sulfonyl-benzamide Formula: C18H25N5O3S2 MolecularWeight: 423.5528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C18H25N5O3S2/c1-3-4-8-16-20-21-18(27-16)19-17(24)14-6-5-7-15(13-14)28(25,26)23-11-9-22(2)10-12-23/h5-7,13H,3-4,8-12H2,1-2H3,(H,19,21,24)