N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butanamide

Systemtic Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butanamide Openeye Name: 4-(4-benzylpiperazin-1-yl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-oxo-butanamide CAS Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butanamide IUPAC Name: 4-(4-benzylpiperazin-1-yl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide Traditional Name: 4-(4-benzylpiperazino)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-keto-butyramide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2S/c1-21(2,3)19-23-24-20(29-19)22-17(27)9-10-18(28)26-13-11-25(12-14-26)15-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3,(H,22,24,27)