2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]ethanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]ethanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[(1S)-1-[4-(1-imidazolyl)phenyl]ethyl]acetamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21N3O3S/c1-15(16-2-4-17(5-3-16)24-9-8-22-14-24)23-21(25)13-28-18-6-7-19-20(12-18)27-11-10-26-19/h2-9,12,14-15H,10-11,13H2,1H3,(H,23,25)/t15-/m0/s1