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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=CC=C5)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=CC=C5)C

InChI

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