5-methyl-4-phenyl-2-(3-phenylprop-2-ynoylamino)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide

Systemtic Name: 5-methyl-4-phenyl-2-(3-phenylprop-2-ynoylamino)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide Openeye Name: 5-methyl-4-phenyl-2-(3-phenylprop-2-ynoylamino)-N-(3-pyridylmethyl)thiophene-3-carboxamide CAS Name: 5-methyl-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-4-phenyl-N-(3-pyridinylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-methyl-4-phenyl-2-(3-phenylprop-2-ynoylamino)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide Traditional Name: 5-methyl-4-phenyl-2-[(3-phenylpropioloyl)amino]-N-(3-pyridylmethyl)thiophene-3-carboxamide Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C#CC2=CC=CC=C2)C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C#CC2=CC=CC=C2)C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H21N3O2S/c1-19-24(22-12-6-3-7-13-22)25(26(32)29-18-21-11-8-16-28-17-21)27(33-19)30-23(31)15-14-20-9-4-2-5-10-20/h2-13,16-17H,18H2,1H3,(H,29,32)(H,30,31)