1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]propan-1-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H23N3O2S/c1-3-26-17-8-9-18-19(12-17)23-21(22-18)27-14(2)20(25)24-11-10-15-6-4-5-7-16(15)13-24/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,22,23)