4-methyl-6-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)thieno[2,3-b]pyrrole-2-carboxamide

Systemtic Name: 4-methyl-6-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)thieno[2,3-b]pyrrole-2-carboxamide Openeye Name: 4-methyl-6-phenyl-N-(3-pyridylmethylcarbamothioyl)thieno[2,3-b]pyrrole-2-carboxamide CAS Name: 4-methyl-6-phenyl-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]-2-thieno[2,3-b]pyrrolecarboxamide IUPAC Name: 4-methyl-6-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)thieno[2,3-b]pyrrole-2-carboxamide Traditional Name: 4-methyl-6-phenyl-N-(3-pyridylmethylthiocarbamoyl)thieno[2,3-b]pyrrole-2-carboxamide Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C=C(S2)C(=O)NC(=S)NCC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CN(C2=C1C=C(S2)C(=O)NC(=S)NCC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4OS2/c1-14-13-25(16-7-3-2-4-8-16)20-17(14)10-18(28-20)19(26)24-21(27)23-12-15-6-5-9-22-11-15/h2-11,13H,12H2,1H3,(H2,23,24,26,27)