3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-ethylsulfonyl-1,3-benzoxazole-2-thione

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-ethylsulfonyl-1,3-benzoxazole-2-thione Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-ethylsulfonyl-1,3-benzoxazole-2-thione CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-ethylsulfonyl-1,3-benzoxazole-2-thione IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-ethylsulfonyl-1,3-benzoxazole-2-thione Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-esyl-1,3-benzoxazole-2-thione Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H20N2O3S2/c1-2-26(22,23)16-7-8-18-17(11-16)21(19(25)24-18)13-20-10-9-14-5-3-4-6-15(14)12-20/h3-8,11H,2,9-10,12-13H2,1H3