N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[4-(3-nitrophenyl)thiazol-2-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[[4-(3-nitrophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[4-(3-nitrophenyl)thiazol-2-yl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C17H10N6O3S3 MolecularWeight: 442.4947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3

InChI

InChI=1S/C17H10N6O3S3/c24-15(10-4-5-12-13(7-10)22-29-21-12)19-16(27)20-17-18-14(8-28-17)9-2-1-3-11(6-9)23(25)26/h1-8H,(H2,18,19,20,24,27)