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

Systemtic Name: 2-[(4-acetamidophenyl)-[2-(benzotriazol-1-yl)ethanoyl]amino]-N-cyclohexyl-2-thiophen-2-yl-ethanamide Openeye Name: 2-(4-acetamido-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-(2-thienyl)acetamide CAS Name: 2-(4-acetamido-N-[2-(1-benzotriazolyl)-1-oxoethyl]anilino)-N-cyclohexyl-2-thiophen-2-ylacetamide IUPAC Name: 2-(4-acetamido-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-thiophen-2-ylacetamide Traditional Name: 2-(4-acetamido-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-(2-thienyl)acetamide Formula: C28H30N6O3S MolecularWeight: 530.6412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCCC3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCCC3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C28H30N6O3S/c1-19(35)29-21-13-15-22(16-14-21)34(26(36)18-33-24-11-6-5-10-23(24)31-32-33)27(25-12-7-17-38-25)28(37)30-20-8-3-2-4-9-20/h5-7,10-17,20,27H,2-4,8-9,18H2,1H3,(H,29,35)(H,30,37)