4-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

Systemtic Name: 4-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide Openeye Name: 4-methyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2-(3-thienyl)thiazole-5-carboxamide CAS Name: 4-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(3-thiophenyl)-5-thiazolecarboxamide IUPAC Name: 4-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-methyl-2-(3-thienyl)thiazole-5-carboxamide Formula: C18H18N4O5S3 MolecularWeight: 466.55432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CSC=C2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=CSC=C2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S3/c1-11-16(29-18(21-11)12-5-8-28-10-12)17(23)20-7-6-19-14-4-3-13(30(2,26)27)9-15(14)22(24)25/h3-5,8-10,19H,6-7H2,1-2H3,(H,20,23)