N-benzo[e][1,3]benzothiazol-2-yl-4-(4-methoxyphenyl)sulfanyl-butanamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-4-[(4-methoxyphenyl)thio]butyramide Formula: C22H20N2O2S2 MolecularWeight: 408.5364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

InChI

InChI=1S/C22H20N2O2S2/c1-26-16-9-11-17(12-10-16)27-14-4-7-20(25)23-22-24-21-18-6-3-2-5-15(18)8-13-19(21)28-22/h2-3,5-6,8-13H,4,7,14H2,1H3,(H,23,24,25)