1-ethyl-3-[6-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-yl]urea

Systemtic Name: 1-ethyl-3-[6-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-yl]urea Openeye Name: 1-ethyl-3-[6-(4-pyridylmethyl)-1,3-benzothiazol-2-yl]urea CAS Name: 1-ethyl-3-[6-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-yl]urea IUPAC Name: 1-ethyl-3-[6-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-yl]urea Traditional Name: 1-ethyl-3-[6-(4-pyridylmethyl)-1,3-benzothiazol-2-yl]urea Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)CC3=CC=NC=C3

Isomeric SMILES

CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)CC3=CC=NC=C3

InChI

InChI=1S/C16H16N4OS/c1-2-18-15(21)20-16-19-13-4-3-12(10-14(13)22-16)9-11-5-7-17-8-6-11/h3-8,10H,2,9H2,1H3,(H2,18,19,20,21)