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

Systemtic Name: N-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)propanamide CAS Name: N-[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: N-[2-(benzylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C17H16N2OS2 MolecularWeight: 328.45174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=C3

InChI

InChI=1S/C17H16N2OS2/c1-2-16(20)18-13-8-9-14-15(10-13)22-17(19-14)21-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,18,20)