N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanamide

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanamide Openeye Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-(4-isopropylsulfanylphenyl)acetamide CAS Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-[4-(propan-2-ylthio)phenyl]acetamide IUPAC Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-(4-propan-2-ylsulfanylphenyl)acetamide Traditional Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-[4-(isopropylthio)phenyl]acetamide Formula: C22H22N2OS2 MolecularWeight: 394.55288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43

InChI

InChI=1S/C22H22N2OS2/c1-14(2)26-17-10-7-15(8-11-17)13-20(25)23-22-24-21-18-6-4-3-5-16(18)9-12-19(21)27-22/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,23,24,25)