N-[[3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxidanylidene-propyl]sulfanylmethyl]ethanamide

Systemtic Name: N-[[3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxidanylidene-propyl]sulfanylmethyl]ethanamide Openeye Name: N-[[3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-1-piperidyl]-3-oxo-propyl]sulfanylmethyl]acetamide CAS Name: N-[[[3-[4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-1-piperidinyl]-3-oxopropyl]thio]methyl]acetamide IUPAC Name: N-[[3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]sulfanylmethyl]acetamide Traditional Name: N-[[[3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidino]-3-keto-propyl]thio]methyl]acetamide Formula: C21H27N7O2S MolecularWeight: 441.54978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSCCC(=O)N1CCC(CC1)C2=NC=CN2CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(=O)NCSCCC(=O)N1CCC(CC1)C2=NC=CN2CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H27N7O2S/c1-16(29)23-14-31-13-8-20(30)26-10-6-17(7-11-26)21-22-9-12-27(21)15-28-19-5-3-2-4-18(19)24-25-28/h2-5,9,12,17H,6-8,10-11,13-15H2,1H3,(H,23,29)