5-(4-bromophenyl)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-furamide Formula: C19H11BrN4O4S2 MolecularWeight: 503.34904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C19H11BrN4O4S2/c20-11-3-1-10(2-4-11)14-7-8-15(28-14)17(25)22-18(29)23-19-21-13-6-5-12(24(26)27)9-16(13)30-19/h1-9H,(H2,21,22,23,25,29)