3,4-dihydro-1H-isoquinolin-2-yl-[3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]phenyl]methanone Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H22N2O2S/c1-17-6-4-11-22-23(17)26-25(29-22)30-16-18-7-5-10-20(14-18)24(28)27-13-12-19-8-2-3-9-21(19)15-27/h2-11,14H,12-13,15-16H2,1H3