N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]butanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]butanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]butanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]-1,3-benzothiazol-6-yl]butanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]butanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]-1,3-benzothiazol-6-yl]butyramide Formula: C19H17N3OS2 MolecularWeight: 367.48778

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=C3C#N

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C19H17N3OS2/c1-2-5-18(23)21-15-8-9-16-17(10-15)25-19(22-16)24-12-14-7-4-3-6-13(14)11-20/h3-4,6-10H,2,5,12H2,1H3,(H,21,23)