1-[6-(2-cyanoethanoyl)-1,3-benzothiazol-2-yl]-3-ethyl-urea

Systemtic Name: 1-[6-(2-cyanoethanoyl)-1,3-benzothiazol-2-yl]-3-ethyl-urea Openeye Name: 1-[6-(2-cyanoacetyl)-1,3-benzothiazol-2-yl]-3-ethyl-urea CAS Name: 1-[6-(2-cyano-1-oxoethyl)-1,3-benzothiazol-2-yl]-3-ethylurea IUPAC Name: 1-[6-(2-cyanoacetyl)-1,3-benzothiazol-2-yl]-3-ethylurea Traditional Name: 1-[6-(2-cyanoacetyl)-1,3-benzothiazol-2-yl]-3-ethyl-urea Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)CC#N

Isomeric SMILES

CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)CC#N

InChI

InChI=1S/C13H12N4O2S/c1-2-15-12(19)17-13-16-9-4-3-8(7-11(9)20-13)10(18)5-6-14/h3-4,7H,2,5H2,1H3,(H2,15,16,17,19)