2-(2,2-dimethylpropanoylamino)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(2,2-dimethylpropanoylamino)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(2,2-dimethylpropanoylamino)-N-(4-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(2,2-dimethylpropanoylamino)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(pivaloylamino)-N-(4-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C20H25N3O2S/c1-20(2,3)19(25)23-18-16(14-6-4-5-7-15(14)26-18)17(24)22-12-13-8-10-21-11-9-13/h8-11H,4-7,12H2,1-3H3,(H,22,24)(H,23,25)