(2S)-2-[2-(benzotriazol-1-yl)ethanoyl-(4-methylphenyl)amino]-N-tert-butyl-2-thiophen-2-yl-ethanamide

Systemtic Name: (2S)-2-[2-(benzotriazol-1-yl)ethanoyl-(4-methylphenyl)amino]-N-tert-butyl-2-thiophen-2-yl-ethanamide Openeye Name: (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methyl-anilino)-N-tert-butyl-2-(2-thienyl)acetamide CAS Name: (2S)-2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-4-methylanilino)-N-tert-butyl-2-thiophen-2-ylacetamide IUPAC Name: (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-N-tert-butyl-2-thiophen-2-ylacetamide Traditional Name: (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methyl-anilino)-N-tert-butyl-2-(2-thienyl)acetamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NC(C)(C)C)C(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)N([C@H](C2=CC=CS2)C(=O)NC(C)(C)C)C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C25H27N5O2S/c1-17-11-13-18(14-12-17)30(22(31)16-29-20-9-6-5-8-19(20)27-28-29)23(21-10-7-15-33-21)24(32)26-25(2,3)4/h5-15,23H,16H2,1-4H3,(H,26,32)/t23-/m1/s1