N-[2-(cyclohexylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[2-(cyclohexylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-(cyclohexylamino)-2-oxo-1-(2-thienyl)ethyl]-N-(2-morpholinoethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[2-(4-morpholinyl)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-(cyclohexylamino)-2-keto-1-(2-thienyl)ethyl]-N-(2-morpholinoethyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C27H35N3O5S MolecularWeight: 513.6489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC=CS2)N(CCN3CCOCC3)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

C1CCC(CC1)NC(=O)C(C2=CC=CS2)N(CCN3CCOCC3)C(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C27H35N3O5S/c31-26(28-20-7-2-1-3-8-20)25(24-11-6-18-36-24)30(13-12-29-14-16-33-17-15-29)27(32)23-19-34-21-9-4-5-10-22(21)35-23/h4-6,9-11,18,20,23,25H,1-3,7-8,12-17,19H2,(H,28,31)