N-[3-[(6-pyrrolidin-1-ylpyridin-3-yl)methylcarbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[3-[(6-pyrrolidin-1-ylpyridin-3-yl)methylcarbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Openeye Name: N-[3-[(6-pyrrolidin-1-yl-3-pyridyl)methylcarbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyridine-3-carboxamide CAS Name: N-[3-[oxo-[[6-(1-pyrrolidinyl)-3-pyridinyl]methylamino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[3-[(6-pyrrolidin-1-ylpyridin-3-yl)methylcarbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Traditional Name: N-[3-[(6-pyrrolidino-3-pyridyl)methylcarbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]nicotinamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CN=CC=C3)C(=O)NCC4=CN=C(C=C4)N5CCCC5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CN=CC=C3)C(=O)NCC4=CN=C(C=C4)N5CCCC5

InChI

InChI=1S/C25H27N5O2S/c31-23(18-6-5-11-26-16-18)29-25-22(19-7-1-2-8-20(19)33-25)24(32)28-15-17-9-10-21(27-14-17)30-12-3-4-13-30/h5-6,9-11,14,16H,1-4,7-8,12-13,15H2,(H,28,32)(H,29,31)