5-nitro-N-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 5-nitro-N-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-[[4-(4-phenoxyphenyl)thiazol-2-yl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 5-nitro-N-[[[4-(4-phenoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-[[4-(4-phenoxyphenyl)thiazol-2-yl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C25H16N4O4S3 MolecularWeight: 532.61394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CSC(=N3)NC(=S)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CSC(=N3)NC(=S)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H16N4O4S3/c30-23(22-13-16-12-17(29(31)32)8-11-21(16)36-22)27-24(34)28-25-26-20(14-35-25)15-6-9-19(10-7-15)33-18-4-2-1-3-5-18/h1-14H,(H2,26,27,28,30,34)