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

Systemtic Name: N-[(6S)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-2-carboxamide Openeye Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoline-2-carboxamide CAS Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-2-carboxamide Traditional Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinaldamide Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H19N3O2S/c1-11-6-8-13-16(10-11)26-20(17(13)18(21)24)23-19(25)15-9-7-12-4-2-3-5-14(12)22-15/h2-5,7,9,11H,6,8,10H2,1H3,(H2,21,24)(H,23,25)/t11-/m0/s1