2-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-2-ylmethyl)amino]-N-(3-methylbutyl)-2-pyridin-4-yl-ethanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-2-ylmethyl)amino]-N-(3-methylbutyl)-2-pyridin-4-yl-ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(2-thienylmethyl)amino]-N-isopentyl-2-(4-pyridyl)acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(thiophen-2-ylmethyl)amino]-N-(3-methylbutyl)-2-pyridin-4-ylacetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-N-(3-methylbutyl)-2-pyridin-4-ylacetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(2-thenyl)amino]-N-isoamyl-2-(4-pyridyl)acetamide Formula: C25H28N6O2S MolecularWeight: 476.59382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(C1=CC=NC=C1)N(CC2=CC=CS2)C(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)CCNC(=O)C(C1=CC=NC=C1)N(CC2=CC=CS2)C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C25H28N6O2S/c1-18(2)9-14-27-25(33)24(19-10-12-26-13-11-19)30(16-20-6-5-15-34-20)23(32)17-31-22-8-4-3-7-21(22)28-29-31/h3-8,10-13,15,18,24H,9,14,16-17H2,1-2H3,(H,27,33)