N-[4-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-4-pyridin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[4-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-4-pyridin-2-yl-piperazine-1-carboxamide Openeye Name: N-[4-[2-(cycloheptylamino)-2-oxo-ethyl]thiazol-2-yl]-4-(2-pyridyl)piperazine-1-carboxamide CAS Name: N-[4-[2-(cycloheptylamino)-2-oxoethyl]-2-thiazolyl]-4-(2-pyridinyl)-1-piperazinecarboxamide IUPAC Name: N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide Traditional Name: N-[4-[2-(cycloheptylamino)-2-keto-ethyl]thiazol-2-yl]-4-(2-pyridyl)piperazine-1-carboxamide Formula: C22H30N6O2S MolecularWeight: 442.5776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CC2=CSC(=N2)NC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CCCC(CC1)NC(=O)CC2=CSC(=N2)NC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H30N6O2S/c29-20(24-17-7-3-1-2-4-8-17)15-18-16-31-21(25-18)26-22(30)28-13-11-27(12-14-28)19-9-5-6-10-23-19/h5-6,9-10,16-17H,1-4,7-8,11-15H2,(H,24,29)(H,25,26,30)