1-ethyl-3-[5-[4-(hydroxymethyl)phenyl]-7-pyridin-3-yl-1,3-benzothiazol-2-yl]urea

Systemtic Name: 1-ethyl-3-[5-[4-(hydroxymethyl)phenyl]-7-pyridin-3-yl-1,3-benzothiazol-2-yl]urea Openeye Name: 1-ethyl-3-[5-[4-(hydroxymethyl)phenyl]-7-(3-pyridyl)-1,3-benzothiazol-2-yl]urea CAS Name: 1-ethyl-3-[5-[4-(hydroxymethyl)phenyl]-7-(3-pyridinyl)-1,3-benzothiazol-2-yl]urea IUPAC Name: 1-ethyl-3-[5-[4-(hydroxymethyl)phenyl]-7-pyridin-3-yl-1,3-benzothiazol-2-yl]urea Traditional Name: 1-ethyl-3-[5-(4-methylolphenyl)-7-(3-pyridyl)-1,3-benzothiazol-2-yl]urea Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=CC(=CC(=C2S1)C3=CN=CC=C3)C4=CC=C(C=C4)CO

Isomeric SMILES

CCNC(=O)NC1=NC2=CC(=CC(=C2S1)C3=CN=CC=C3)C4=CC=C(C=C4)CO

InChI

InChI=1S/C22H20N4O2S/c1-2-24-21(28)26-22-25-19-11-17(15-7-5-14(13-27)6-8-15)10-18(20(19)29-22)16-4-3-9-23-12-16/h3-12,27H,2,13H2,1H3,(H2,24,25,26,28)