4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiophen-2-yl]-2-methyl-5-oxidanylidene-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: 4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiophen-2-yl]-2-methyl-5-oxidanylidene-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: 4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-thienyl]-2-methyl-5-oxo-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide CAS Name: 4-[4-[(1,3-benzothiazol-2-ylthio)methyl]-2-thiophenyl]-2-methyl-5-oxo-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiophen-2-yl]-2-methyl-5-oxo-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: 4-[4-[(1,3-benzothiazol-2-ylthio)methyl]-2-thienyl]-5-keto-2-methyl-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C29H25N3O2S3 MolecularWeight: 543.7227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CS3)CSC4=NC5=CC=CC=C5S4)C(=O)NC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CS3)CSC4=NC5=CC=CC=C5S4)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C29H25N3O2S3/c1-17-25(28(34)31-19-8-3-2-4-9-19)27(26-21(30-17)11-7-12-22(26)33)24-14-18(15-35-24)16-36-29-32-20-10-5-6-13-23(20)37-29/h2-6,8-10,13-15,27,30H,7,11-12,16H2,1H3,(H,31,34)