N-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,2,4,6,7-pentamethyl-quinoline-1-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,2,4,6,7-pentamethyl-quinoline-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,2,4,6,7-pentamethyl-quinoline-1-carboxamide CAS Name: N-[(1,3-benzothiazol-2-ylthio)methyl]-2,2,4,6,7-pentamethyl-1-quinolinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,2,4,6,7-pentamethylquinoline-1-carboxamide Traditional Name: N-[(1,3-benzothiazol-2-ylthio)methyl]-2,2,4,6,7-pentamethyl-quinoline-1-carboxamide Formula: C23H25N3OS2 MolecularWeight: 423.5941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(N2C(=O)NCSC3=NC4=CC=CC=C4S3)(C)C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(N2C(=O)NCSC3=NC4=CC=CC=C4S3)(C)C)C)C

InChI

InChI=1S/C23H25N3OS2/c1-14-10-17-16(3)12-23(4,5)26(19(17)11-15(14)2)21(27)24-13-28-22-25-18-8-6-7-9-20(18)29-22/h6-12H,13H2,1-5H3,(H,24,27)