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

Systemtic Name: N-[(2-methoxyphenyl)carbamothioyl]-4-methyl-6-phenyl-thieno[2,3-b]pyrrole-2-carboxamide Openeye Name: N-[(2-methoxyphenyl)carbamothioyl]-4-methyl-6-phenyl-thieno[2,3-b]pyrrole-2-carboxamide CAS Name: N-[(2-methoxyanilino)-sulfanylidenemethyl]-4-methyl-6-phenyl-2-thieno[2,3-b]pyrrolecarboxamide IUPAC Name: N-[(2-methoxyphenyl)carbamothioyl]-4-methyl-6-phenylthieno[2,3-b]pyrrole-2-carboxamide Traditional Name: N-[(2-methoxyphenyl)thiocarbamoyl]-4-methyl-6-phenyl-thieno[2,3-b]pyrrole-2-carboxamide Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C=C(S2)C(=O)NC(=S)NC3=CC=CC=C3OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CN(C2=C1C=C(S2)C(=O)NC(=S)NC3=CC=CC=C3OC)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2S2/c1-14-13-25(15-8-4-3-5-9-15)21-16(14)12-19(29-21)20(26)24-22(28)23-17-10-6-7-11-18(17)27-2/h3-13H,1-2H3,(H2,23,24,26,28)