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

Systemtic Name: N-[(6S)-3-(cyclopropylcarbamoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[(6S)-3-(cyclopropylcarbamoyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[(6S)-3-[(cyclopropylamino)-oxomethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[(6S)-3-(cyclopropylcarbamoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[(6S)-3-(cyclopropylcarbamoyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]isonipecotamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NC3CC3)NC(=O)C4CCN(CC4)C(=O)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)NC3CC3)NC(=O)C4CCN(CC4)C(=O)C

InChI

InChI=1S/C21H29N3O3S/c1-12-3-6-16-17(11-12)28-21(18(16)20(27)22-15-4-5-15)23-19(26)14-7-9-24(10-8-14)13(2)25/h12,14-15H,3-11H2,1-2H3,(H,22,27)(H,23,26)/t12-/m0/s1