2-(3-methylbutanoylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(3-methylbutanoylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(3-methylbutanoylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]thiazole-4-carboxamide CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-N-[3-(4-methyl-1-piperazinyl)propyl]-4-thiazolecarboxamide IUPAC Name: 2-(3-methylbutanoylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-(isovalerylamino)-N-[3-(4-methylpiperazino)propyl]thiazole-4-carboxamide Formula: C17H29N5O2S MolecularWeight: 367.50946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC(=CS1)C(=O)NCCCN2CCN(CC2)C

Isomeric SMILES

CC(C)CC(=O)NC1=NC(=CS1)C(=O)NCCCN2CCN(CC2)C

InChI

InChI=1S/C17H29N5O2S/c1-13(2)11-15(23)20-17-19-14(12-25-17)16(24)18-5-4-6-22-9-7-21(3)8-10-22/h12-13H,4-11H2,1-3H3,(H,18,24)(H,19,20,23)