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

Systemtic Name: N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]-4-methyl-6-phenyl-thieno[2,3-b]pyrrole-2-carboxamide Openeye Name: N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]-4-methyl-6-phenyl-thieno[2,3-b]pyrrole-2-carboxamide CAS Name: N-[(4-methoxy-3-nitroanilino)-sulfanylidenemethyl]-4-methyl-6-phenyl-2-thieno[2,3-b]pyrrolecarboxamide IUPAC Name: N-[(4-methoxy-3-nitrophenyl)carbamothioyl]-4-methyl-6-phenylthieno[2,3-b]pyrrole-2-carboxamide Traditional Name: N-[(4-methoxy-3-nitro-phenyl)thiocarbamoyl]-4-methyl-6-phenyl-thieno[2,3-b]pyrrole-2-carboxamide Formula: C22H18N4O4S2 MolecularWeight: 466.53272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C=C(S2)C(=O)NC(=S)NC3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CN(C2=C1C=C(S2)C(=O)NC(=S)NC3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O4S2/c1-13-12-25(15-6-4-3-5-7-15)21-16(13)11-19(32-21)20(27)24-22(31)23-14-8-9-18(30-2)17(10-14)26(28)29/h3-12H,1-2H3,(H2,23,24,27,31)