5-nitro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-nitro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-(1-pyrimidin-2-yl-3-piperidyl)benzothiophene-2-carboxamide CAS Name: 5-nitro-N-[1-(2-pyrimidinyl)-3-piperidinyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-[1-(2-pyrimidyl)-3-piperidyl]benzothiophene-2-carboxamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(CN(C1)C2=NC=CC=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3S/c24-17(16-10-12-9-14(23(25)26)4-5-15(12)27-16)21-13-3-1-8-22(11-13)18-19-6-2-7-20-18/h2,4-7,9-10,13H,1,3,8,11H2,(H,21,24)