N-benzo[e][1,3]benzothiazol-2-yl-4-phenylsulfanyl-butanamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-4-phenylsulfanyl-butanamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-4-phenylsulfanyl-butanamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-4-(phenylthio)butanamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-4-phenylsulfanylbutanamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-4-(phenylthio)butyramide Formula: C21H18N2OS2 MolecularWeight: 378.51042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

InChI

InChI=1S/C21H18N2OS2/c24-19(11-6-14-25-16-8-2-1-3-9-16)22-21-23-20-17-10-5-4-7-15(17)12-13-18(20)26-21/h1-5,7-10,12-13H,6,11,14H2,(H,22,23,24)