(2S)-2-[2-(benzotriazol-1-yl)ethanoyl-(phenylmethyl)amino]-N-cyclohexyl-2-thiophen-2-yl-ethanamide

Systemtic Name: (2S)-2-[2-(benzotriazol-1-yl)ethanoyl-(phenylmethyl)amino]-N-cyclohexyl-2-thiophen-2-yl-ethanamide Openeye Name: (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-benzyl-amino]-N-cyclohexyl-2-(2-thienyl)acetamide CAS Name: (2S)-2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(phenylmethyl)amino]-N-cyclohexyl-2-thiophen-2-ylacetamide IUPAC Name: (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-cyclohexyl-2-thiophen-2-ylacetamide Traditional Name: (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-benzyl-amino]-N-cyclohexyl-2-(2-thienyl)acetamide Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC=CS2)N(CC3=CC=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@@H](C2=CC=CS2)N(CC3=CC=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C27H29N5O2S/c33-25(19-32-23-15-8-7-14-22(23)29-30-32)31(18-20-10-3-1-4-11-20)26(24-16-9-17-35-24)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)/t26-/m1/s1