2-methyl-N-[5-(2-pyridin-4-ylsulfanylethanoylamino)-1,3-benzothiazol-2-yl]propanamide

Systemtic Name: 2-methyl-N-[5-(2-pyridin-4-ylsulfanylethanoylamino)-1,3-benzothiazol-2-yl]propanamide Openeye Name: 2-methyl-N-[5-[[2-(4-pyridylsulfanyl)acetyl]amino]-1,3-benzothiazol-2-yl]propanamide CAS Name: 2-methyl-N-[5-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]-1,3-benzothiazol-2-yl]propanamide IUPAC Name: 2-methyl-N-[5-[(2-pyridin-4-ylsulfanylacetyl)amino]-1,3-benzothiazol-2-yl]propanamide Traditional Name: 2-methyl-N-[5-[[2-(4-pyridylthio)acetyl]amino]-1,3-benzothiazol-2-yl]propionamide Formula: C18H18N4O2S2 MolecularWeight: 386.49112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC2=C(S1)C=CC(=C2)NC(=O)CSC3=CC=NC=C3

Isomeric SMILES

CC(C)C(=O)NC1=NC2=C(S1)C=CC(=C2)NC(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C18H18N4O2S2/c1-11(2)17(24)22-18-21-14-9-12(3-4-15(14)26-18)20-16(23)10-25-13-5-7-19-8-6-13/h3-9,11H,10H2,1-2H3,(H,20,23)(H,21,22,24)