N-(7-iodanylheptan-3-yl)-1-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide

Systemtic Name: N-(7-iodanylheptan-3-yl)-1-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide Openeye Name: N-(1-ethyl-5-iodo-pentyl)-1-(4-phenylthiazol-2-yl)piperazine-2-carboxamide CAS Name: N-(7-iodoheptan-3-yl)-1-(4-phenyl-2-thiazolyl)-2-piperazinecarboxamide IUPAC Name: N-(7-iodoheptan-3-yl)-1-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide Traditional Name: N-(1-ethyl-5-iodo-pentyl)-1-(4-phenylthiazol-2-yl)piperazine-2-carboxamide Formula: C21H29IN4OS MolecularWeight: 512.45063

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCI)NC(=O)C1CNCCN1C2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CCC(CCCCI)NC(=O)C1CNCCN1C2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H29IN4OS/c1-2-17(10-6-7-11-22)24-20(27)19-14-23-12-13-26(19)21-25-18(15-28-21)16-8-4-3-5-9-16/h3-5,8-9,15,17,19,23H,2,6-7,10-14H2,1H3,(H,24,27)