N-(1,3-benzothiazol-2-yl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(3,6,7-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(3,6,7-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(3,6,7-trimethyl-2-quinolyl)thio]acetamide Formula: C21H19N3OS2 MolecularWeight: 393.52506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2N=C1SCC(=O)NC3=NC4=CC=CC=C4S3)C)C

Isomeric SMILES

CC1=CC2=CC(=C(C=C2N=C1SCC(=O)NC3=NC4=CC=CC=C4S3)C)C

InChI

InChI=1S/C21H19N3OS2/c1-12-8-15-9-14(3)20(22-17(15)10-13(12)2)26-11-19(25)24-21-23-16-6-4-5-7-18(16)27-21/h4-10H,11H2,1-3H3,(H,23,24,25)