(E)-N-(4-methoxyphenyl)-3-[(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)amino]but-2-enamide

Systemtic Name: (E)-N-(4-methoxyphenyl)-3-[(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)amino]but-2-enamide Openeye Name: (E)-N-(4-methoxyphenyl)-3-[[2-morpholino-2-(2-thienyl)ethyl]amino]but-2-enamide CAS Name: (E)-N-(4-methoxyphenyl)-3-[[2-(4-morpholinyl)-2-thiophen-2-ylethyl]amino]-2-butenamide IUPAC Name: (E)-N-(4-methoxyphenyl)-3-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]but-2-enamide Traditional Name: (E)-N-(4-methoxyphenyl)-3-[[2-morpholino-2-(2-thienyl)ethyl]amino]but-2-enamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=C(C=C1)OC)NCC(C2=CC=CS2)N3CCOCC3

Isomeric SMILES

C/C(=C\C(=O)NC1=CC=C(C=C1)OC)/NCC(C2=CC=CS2)N3CCOCC3

InChI

InChI=1S/C21H27N3O3S/c1-16(14-21(25)23-17-5-7-18(26-2)8-6-17)22-15-19(20-4-3-13-28-20)24-9-11-27-12-10-24/h3-8,13-14,19,22H,9-12,15H2,1-2H3,(H,23,25)/b16-14+