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

Systemtic Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(4-phenyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylpiperazino)sulfonyl-benzamide Formula: C23H27N5O3S2 MolecularWeight: 485.62218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O3S2/c1-17(2)15-21-25-26-23(32-21)24-22(29)18-7-6-10-20(16-18)33(30,31)28-13-11-27(12-14-28)19-8-4-3-5-9-19/h3-10,16-17H,11-15H2,1-2H3,(H,24,26,29)