4,5-dimethyl-2-(2-phenylbutanoylamino)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-(2-phenylbutanoylamino)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-2-(2-phenylbutanoylamino)-N-(3-pyridylmethyl)thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[(1-oxo-2-phenylbutyl)amino]-N-(3-pyridinylmethyl)-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-(2-phenylbutanoylamino)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide Traditional Name: 4,5-dimethyl-2-(2-phenylbutanoylamino)-N-(3-pyridylmethyl)thiophene-3-carboxamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(C(=C(S2)C)C)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=C(C(=C(S2)C)C)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C23H25N3O2S/c1-4-19(18-10-6-5-7-11-18)21(27)26-23-20(15(2)16(3)29-23)22(28)25-14-17-9-8-12-24-13-17/h5-13,19H,4,14H2,1-3H3,(H,25,28)(H,26,27)