N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-quinoline-7-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-quinoline-7-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-quinoline-7-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-7-quinolinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylquinoline-7-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-quinoline-7-carboxamide Formula: C27H23N3OS2 MolecularWeight: 469.62102

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC6=C(C=CC(=N6)C)C=C5

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC6=C(C=CC(=N6)C)C=C5

InChI

InChI=1S/C27H23N3OS2/c1-15-7-12-19-23(13-15)33-27(24(19)26-29-20-5-3-4-6-22(20)32-26)30-25(31)18-11-10-17-9-8-16(2)28-21(17)14-18/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,30,31)