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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-quinoline-7-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-quinoline-7-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-7-quinolinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylquinoline-7-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-quinoline-7-carboxamide Formula: C26H21N3OS2 MolecularWeight: 455.59444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C26H21N3OS2/c1-15-10-11-16-12-13-17(14-20(16)27-15)24(30)29-26-23(18-6-2-4-8-21(18)31-26)25-28-19-7-3-5-9-22(19)32-25/h3,5,7,9-14H,2,4,6,8H2,1H3,(H,29,30)