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

Systemtic Name: N-[(6S)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]isonipecotamide Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3CCN(CC3)C(=O)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3CCN(CC3)C(=O)C

InChI

InChI=1S/C18H25N3O3S/c1-10-3-4-13-14(9-10)25-18(15(13)16(19)23)20-17(24)12-5-7-21(8-6-12)11(2)22/h10,12H,3-9H2,1-2H3,(H2,19,23)(H,20,24)/t10-/m0/s1