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

Systemtic Name: N-[(6S)-3-aminocarbonyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[(6S)-3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[(6S)-3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[(6S)-3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[(6S)-3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]isonipecotamide Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3CCN(CC3)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3S/c1-3-4-13-5-6-15-16(11-13)27-20(17(15)18(21)25)22-19(26)14-7-9-23(10-8-14)12(2)24/h13-14H,3-11H2,1-2H3,(H2,21,25)(H,22,26)/t13-/m0/s1