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

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-(4-morpholin-4-ylphenyl)ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(2-thienylmethyl)amino]-N-cyclohexyl-2-(4-morpholinophenyl)acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-[4-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-(4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(2-thenyl)amino]-N-cyclohexyl-2-(4-morpholinophenyl)acetamide Formula: C31H36N6O3S MolecularWeight: 572.72094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)N3CCOCC3)N(CC4=CC=CS4)C(=O)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)N3CCOCC3)N(CC4=CC=CS4)C(=O)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C31H36N6O3S/c38-29(22-37-28-11-5-4-10-27(28)33-34-37)36(21-26-9-6-20-41-26)30(31(39)32-24-7-2-1-3-8-24)23-12-14-25(15-13-23)35-16-18-40-19-17-35/h4-6,9-15,20,24,30H,1-3,7-8,16-19,21-22H2,(H,32,39)