N-[(6S)-3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6-chloranyl-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(6S)-3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6-chloranyl-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(6S)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-6-chloro-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(6S)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6-chloro-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(6S)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6-chloro-2-phenylquinoline-4-carboxamide Traditional Name: N-[(6S)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-6-chloro-2-phenyl-cinchoninamide Formula: C27H24ClN3O2S MolecularWeight: 490.01636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H24ClN3O2S/c1-2-15-8-10-18-23(12-15)34-27(24(18)25(29)32)31-26(33)20-14-22(16-6-4-3-5-7-16)30-21-11-9-17(28)13-19(20)21/h3-7,9,11,13-15H,2,8,10,12H2,1H3,(H2,29,32)(H,31,33)/t15-/m0/s1