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

Systemtic Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-(phenylcarbonyl)benzamide Openeye Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-benzoyl-benzamide CAS Name: N-[[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-4-benzoylbenzamide IUPAC Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-benzoylbenzamide Traditional Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-benzoyl-benzamide Formula: C28H19N3O3S2 MolecularWeight: 509.59876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC(=C4NC5=CC=CC=C5S4)C(=O)C=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC(=C4NC5=CC=CC=C5S4)C(=O)C=C3

InChI

InChI=1S/C28H19N3O3S2/c32-23-15-14-20(16-21(23)27-30-22-8-4-5-9-24(22)36-27)29-28(35)31-26(34)19-12-10-18(11-13-19)25(33)17-6-2-1-3-7-17/h1-16,30H,(H2,29,31,34,35)