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

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-phenyl-ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(2-thienylmethyl)amino]-N-cyclohexyl-2-phenyl-acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-phenylacetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(2-thenyl)amino]-N-cyclohexyl-2-phenyl-acetamide Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O2S/c33-25(19-32-24-16-8-7-15-23(24)29-30-32)31(18-22-14-9-17-35-22)26(20-10-3-1-4-11-20)27(34)28-21-12-5-2-6-13-21/h1,3-4,7-11,14-17,21,26H,2,5-6,12-13,18-19H2,(H,28,34)