N-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C25H16N4O5S2 MolecularWeight: 516.54834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-])S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-])S2

InChI

InChI=1S/C25H16N4O5S2/c30-19-13-15(8-9-17(19)24-27-18-6-1-2-7-22(18)36-24)26-25(35)28-23(31)21-11-10-20(34-21)14-4-3-5-16(12-14)29(32)33/h1-13,27H,(H2,26,28,31,35)