N-(2-methyl-4-nitro-phenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-[4-(2-thienylsulfonylamino)phenyl]sulfanyl-propanamide CAS Name: N-(2-methyl-4-nitrophenyl)-2-[[4-(thiophen-2-ylsulfonylamino)phenyl]thio]propanamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-2-[[4-(2-thienylsulfonylamino)phenyl]thio]propionamide Formula: C20H19N3O5S3 MolecularWeight: 477.57696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H19N3O5S3/c1-13-12-16(23(25)26)7-10-18(13)21-20(24)14(2)30-17-8-5-15(6-9-17)22-31(27,28)19-4-3-11-29-19/h3-12,14,22H,1-2H3,(H,21,24)