2-[[6-[(3-iodanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[6-[(3-iodanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[6-[(3-iodo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[6-[(3-iodo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1,3-benzothiazol-2-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[6-[(3-iodo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[6-[(3-iodo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]thio]-N-phenyl-acetamide Formula: C22H16IN3O2S2 MolecularWeight: 545.41581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC=C4C=C(C=CC4=O)I

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC=C4C=C(C=CC4=O)I

InChI

InChI=1S/C22H16IN3O2S2/c23-15-6-9-19(27)14(10-15)12-24-17-7-8-18-20(11-17)30-22(26-18)29-13-21(28)25-16-4-2-1-3-5-16/h1-12,24H,13H2,(H,25,28)