2-[2-(benzotriazol-1-yl)ethanoyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-cyclohexyl-2-thiophen-2-yl-ethanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-cyclohexyl-2-thiophen-2-yl-ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-cyclohexyl-2-(2-thienyl)acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-cyclohexyl-2-thiophen-2-ylacetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-cyclohexyl-2-thiophen-2-ylacetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-homoveratryl-amino]-N-cyclohexyl-2-(2-thienyl)acetamide Formula: C30H35N5O4S MolecularWeight: 561.695

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(C(C2=CC=CS2)C(=O)NC3CCCCC3)C(=O)CN4C5=CC=CC=C5N=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(C(C2=CC=CS2)C(=O)NC3CCCCC3)C(=O)CN4C5=CC=CC=C5N=N4)OC

InChI

InChI=1S/C30H35N5O4S/c1-38-25-15-14-21(19-26(25)39-2)16-17-34(28(36)20-35-24-12-7-6-11-23(24)32-33-35)29(27-13-8-18-40-27)30(37)31-22-9-4-3-5-10-22/h6-8,11-15,18-19,22,29H,3-5,9-10,16-17,20H2,1-2H3,(H,31,37)