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

Systemtic Name: N-phenyl-4-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]piperidine-1-carboxamide Openeye Name: N-phenyl-4-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]piperidine-1-carboxamide CAS Name: 4-[[oxo-[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]amino]-N-phenyl-1-piperidinecarboxamide IUPAC Name: N-phenyl-4-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]piperidine-1-carboxamide Traditional Name: N-phenyl-4-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]piperidine-1-carboxamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)NC4CCN(CC4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)NC4CCN(CC4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H28N4O2S/c30-23(22-20-10-4-5-11-21(20)32-24(22)28-14-6-7-15-28)26-19-12-16-29(17-13-19)25(31)27-18-8-2-1-3-9-18/h1-3,6-9,14-15,19H,4-5,10-13,16-17H2,(H,26,30)(H,27,31)