5-(1H-benzimidazol-4-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-sulfanyl-pentan-1-one

Systemtic Name: 5-(1H-benzimidazol-4-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-sulfanyl-pentan-1-one Openeye Name: 5-(1H-benzimidazol-4-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-sulfanyl-pentan-1-one CAS Name: 5-(1H-benzimidazol-4-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-mercapto-1-pentanone IUPAC Name: 5-(1H-benzimidazol-4-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-sulfanylpentan-1-one Traditional Name: 5-(1H-benzimidazol-4-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-mercapto-pentan-1-one Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)C(CCCC3=C4C(=CC=C3)NC=N4)S

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)C(CCCC3=C4C(=CC=C3)NC=N4)S

InChI

InChI=1S/C21H23N3OS/c25-21(24-13-5-9-15-6-1-2-11-18(15)24)19(26)12-4-8-16-7-3-10-17-20(16)23-14-22-17/h1-3,6-7,10-11,14,19,26H,4-5,8-9,12-13H2,(H,22,23)