N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,8-dimethyl-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,8-dimethyl-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,8-dimethyl-2-phenyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,8-dimethyl-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,8-dimethyl-2-phenylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,8-dimethyl-2-phenyl-cinchoninamide Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=CC=C3)C)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

Isomeric SMILES

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=CC=C3)C)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

InChI

InChI=1S/C27H25N3O2S/c1-15-9-8-13-19-21(16(2)24(29-23(15)19)17-10-4-3-5-11-17)26(32)30-27-22(25(28)31)18-12-6-7-14-20(18)33-27/h3-5,8-11,13H,6-7,12,14H2,1-2H3,(H2,28,31)(H,30,32)