N-(1,3-benzothiazol-2-yl)-2-(6,7-dimethoxy-3-methyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(6,7-dimethoxy-3-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(6,7-dimethoxy-3-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(6,7-dimethoxy-3-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(6,7-dimethoxy-3-methyl-2-quinolyl)thio]acetamide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=C(C(=CC2=C1)OC)OC)SCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(N=C2C=C(C(=CC2=C1)OC)OC)SCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N3O3S2/c1-12-8-13-9-16(26-2)17(27-3)10-15(13)22-20(12)28-11-19(25)24-21-23-14-6-4-5-7-18(14)29-21/h4-10H,11H2,1-3H3,(H,23,24,25)