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

Systemtic Name: N-[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: N-[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-benzyloxy-benzamide CAS Name: N-[[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: N-[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3-benzoxy-benzamide Formula: C28H21N3O3S2 MolecularWeight: 511.61464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC(=S)NC3=CC(=O)C(=C4NC5=CC=CC=C5S4)C=C3

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC(=S)NC3=CC(=O)/C(=C/4\NC5=CC=CC=C5S4)/C=C3

InChI

InChI=1S/C28H21N3O3S2/c32-24-16-20(13-14-22(24)27-30-23-11-4-5-12-25(23)36-27)29-28(35)31-26(33)19-9-6-10-21(15-19)34-17-18-7-2-1-3-8-18/h1-16,30H,17H2,(H2,29,31,33,35)/b27-22+