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

Systemtic Name: 4-methyl-6-phenyl-N-[(phenylmethyl)carbamothioyl]thieno[2,3-b]pyrrole-2-carboxamide Openeye Name: N-(benzylcarbamothioyl)-4-methyl-6-phenyl-thieno[2,3-b]pyrrole-2-carboxamide CAS Name: 4-methyl-6-phenyl-N-[[(phenylmethyl)amino]-sulfanylidenemethyl]-2-thieno[2,3-b]pyrrolecarboxamide IUPAC Name: N-(benzylcarbamothioyl)-4-methyl-6-phenylthieno[2,3-b]pyrrole-2-carboxamide Traditional Name: N-(benzylthiocarbamoyl)-4-methyl-6-phenyl-thieno[2,3-b]pyrrole-2-carboxamide Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3OS2/c1-15-14-25(17-10-6-3-7-11-17)21-18(15)12-19(28-21)20(26)24-22(27)23-13-16-8-4-2-5-9-16/h2-12,14H,13H2,1H3,(H2,23,24,26,27)