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

Systemtic Name: N-[(6S)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-quinoline-4-carboxamide Openeye Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-quinoline-4-carboxamide CAS Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylquinoline-4-carboxamide Traditional Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-cinchoninamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C21H21N3O2S/c1-11-7-8-14-17(9-11)27-21(18(14)19(22)25)24-20(26)15-10-12(2)23-16-6-4-3-5-13(15)16/h3-6,10-11H,7-9H2,1-2H3,(H2,22,25)(H,24,26)/t11-/m0/s1