N-[2-(2-oxidanylidenepropylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenyl-propanamide

Systemtic Name: N-[2-(2-oxidanylidenepropylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-(2-acetonylsulfanyl-1,3-benzothiazol-6-yl)-3-phenyl-propanamide CAS Name: N-[2-(2-oxopropylthio)-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-(2-oxopropylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-(acetonylthio)-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C19H18N2O2S2 MolecularWeight: 370.48842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O2S2/c1-13(22)12-24-19-21-16-9-8-15(11-17(16)25-19)20-18(23)10-7-14-5-3-2-4-6-14/h2-6,8-9,11H,7,10,12H2,1H3,(H,20,23)