N-(6-methyl-1,3-benzothiazol-2-yl)-3-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-pyrimidinylthio)propanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-pyrimidylthio)propionamide Formula: C15H14N4OS2 MolecularWeight: 330.42786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC=CC=N3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC=CC=N3

InChI

InChI=1S/C15H14N4OS2/c1-10-3-4-11-12(9-10)22-15(18-11)19-13(20)5-8-21-14-16-6-2-7-17-14/h2-4,6-7,9H,5,8H2,1H3,(H,18,19,20)