2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[[3-(cyclopentylmethyl)-2-quinolyl]sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[3-(cyclopentylmethyl)-2-quinolinyl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[[3-(cyclopentylmethyl)-2-quinolyl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C25H25N3O2S2 MolecularWeight: 463.6149

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=CC=CC=C4C=C3CC5CCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=CC=CC=C4C=C3CC5CCCC5

InChI

InChI=1S/C25H25N3O2S2/c1-30-19-10-11-21-22(14-19)32-25(27-21)28-23(29)15-31-24-18(12-16-6-2-3-7-16)13-17-8-4-5-9-20(17)26-24/h4-5,8-11,13-14,16H,2-3,6-7,12,15H2,1H3,(H,27,28,29)