N-[[4-(thiophen-2-ylcarbonylamino)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[4-(thiophen-2-ylcarbonylamino)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[4-(thiophene-2-carbonylamino)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[4-[[oxo(thiophen-2-yl)methyl]amino]anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[4-(thiophene-2-carbonylamino)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[4-(2-thenoylamino)phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C19H13N5O2S3 MolecularWeight: 439.53382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3

Isomeric SMILES

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3

InChI

InChI=1S/C19H13N5O2S3/c25-17(11-3-8-14-15(10-11)24-29-23-14)22-19(27)21-13-6-4-12(5-7-13)20-18(26)16-2-1-9-28-16/h1-10H,(H,20,26)(H2,21,22,25,27)