2-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

Systemtic Name: 2-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide Openeye Name: 2-[[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-1-yl]methyl]-4-methyl-N-phenyl-thiazole-5-carboxamide CAS Name: 2-[[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazinyl]methyl]-4-methyl-N-phenyl-5-thiazolecarboxamide IUPAC Name: 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide Traditional Name: 2-[[4-[2-(tert-butylamino)-2-keto-ethyl]piperazino]methyl]-4-methyl-N-phenyl-thiazole-5-carboxamide Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CN2CCN(CC2)CC(=O)NC(C)(C)C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=N1)CN2CCN(CC2)CC(=O)NC(C)(C)C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H31N5O2S/c1-16-20(21(29)24-17-8-6-5-7-9-17)30-19(23-16)15-27-12-10-26(11-13-27)14-18(28)25-22(2,3)4/h5-9H,10-15H2,1-4H3,(H,24,29)(H,25,28)