N-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-methyl-4-phenylazanyl-3,4-dihydro-2H-quinoline-1-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-methyl-4-phenylazanyl-3,4-dihydro-2H-quinoline-1-carboxamide Openeye Name: 4-anilino-N-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide CAS Name: 4-anilino-N-[(1,3-benzothiazol-2-ylthio)methyl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide IUPAC Name: 4-anilino-N-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide Traditional Name: 4-anilino-N-[(1,3-benzothiazol-2-ylthio)methyl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide Formula: C25H24N4OS2 MolecularWeight: 460.61426

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=CC=CC=C2N1C(=O)NCSC3=NC4=CC=CC=C4S3)NC5=CC=CC=C5

Isomeric SMILES

CC1CC(C2=CC=CC=C2N1C(=O)NCSC3=NC4=CC=CC=C4S3)NC5=CC=CC=C5

InChI

InChI=1S/C25H24N4OS2/c1-17-15-21(27-18-9-3-2-4-10-18)19-11-5-7-13-22(19)29(17)24(30)26-16-31-25-28-20-12-6-8-14-23(20)32-25/h2-14,17,21,27H,15-16H2,1H3,(H,26,30)