1-[(2-thiomorpholin-4-ylpyridin-4-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea

Systemtic Name: 1-[(2-thiomorpholin-4-ylpyridin-4-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea Openeye Name: 1-[(2-thiomorpholino-4-pyridyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea CAS Name: 1-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea IUPAC Name: 1-[(2-thiomorpholin-4-ylpyridin-4-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea Traditional Name: 1-[(2-thiomorpholino-4-pyridyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)NCC2=CC(=NC=C2)N3CCSCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)NCC2=CC(=NC=C2)N3CCSCC3

InChI

InChI=1S/C20H26N4O4S/c1-26-16-11-15(12-17(27-2)19(16)28-3)23-20(25)22-13-14-4-5-21-18(10-14)24-6-8-29-9-7-24/h4-5,10-12H,6-9,13H2,1-3H3,(H2,22,23,25)