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

Systemtic Name: 4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)-6-phenyl-thieno[2,3-b]pyrrole-2-carboxamide Openeye Name: 4-methyl-6-phenyl-N-(tetrahydrofuran-2-ylmethylcarbamothioyl)thieno[2,3-b]pyrrole-2-carboxamide CAS Name: 4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]-6-phenyl-2-thieno[2,3-b]pyrrolecarboxamide IUPAC Name: 4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)-6-phenylthieno[2,3-b]pyrrole-2-carboxamide Traditional Name: 4-methyl-6-phenyl-N-(tetrahydrofurfurylthiocarbamoyl)thieno[2,3-b]pyrrole-2-carboxamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C=C(S2)C(=O)NC(=S)NCC3CCCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CN(C2=C1C=C(S2)C(=O)NC(=S)NCC3CCCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2S2/c1-13-12-23(14-6-3-2-4-7-14)19-16(13)10-17(27-19)18(24)22-20(26)21-11-15-8-5-9-25-15/h2-4,6-7,10,12,15H,5,8-9,11H2,1H3,(H2,21,22,24,26)