1-[3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]propyl]piperidine-4-carboxamide

Systemtic Name: 1-[3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]propyl]piperidine-4-carboxamide Openeye Name: 1-[3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]propyl]piperidine-4-carboxamide CAS Name: 1-[3-[[oxo-[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]amino]propyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]propyl]piperidine-4-carboxamide Traditional Name: 1-[3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]propyl]isonipecotamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)NCCCN4CCC(CC4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)NCCCN4CCC(CC4)C(=O)N

InChI

InChI=1S/C22H30N4O2S/c23-20(27)16-8-14-25(15-9-16)11-5-10-24-21(28)19-17-6-1-2-7-18(17)29-22(19)26-12-3-4-13-26/h3-4,12-13,16H,1-2,5-11,14-15H2,(H2,23,27)(H,24,28)