2-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(2-thienylmethyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(2-thenyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide Formula: C27H28FN5O2S MolecularWeight: 505.606923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)F)N(CC3=CC=CS3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)F)N(CC3=CC=CS3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C27H28FN5O2S/c28-20-14-12-19(13-15-20)26(27(35)29-21-7-2-1-3-8-21)32(17-22-9-6-16-36-22)25(34)18-33-24-11-5-4-10-23(24)30-31-33/h4-6,9-16,21,26H,1-3,7-8,17-18H2,(H,29,35)