4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-methyl-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)-5-methyl-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)-5-methyl-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]-5-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)-5-methylthiophen-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]-5-methyl-2-thienyl]-5-keto-2-methyl-N-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C30H27N3O2S3 MolecularWeight: 557.74928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(S3)C)CSC4=NC5=CC=CC=C5S4)C(=O)NC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(S3)C)CSC4=NC5=CC=CC=C5S4)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C30H27N3O2S3/c1-17-26(29(35)32-20-9-4-3-5-10-20)28(27-22(31-17)12-8-13-23(27)34)25-15-19(18(2)37-25)16-36-30-33-21-11-6-7-14-24(21)38-30/h3-7,9-11,14-15,28,31H,8,12-13,16H2,1-2H3,(H,32,35)