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

Systemtic Name: N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-iodanyl-benzamide Openeye Name: N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-2-iodo-benzamide CAS Name: N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-2-iodobenzamide IUPAC Name: N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-2-iodobenzamide Traditional Name: N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-2-iodo-benzamide Formula: C20H13IN2O2S MolecularWeight: 472.29889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2)I

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=C/C(=C/3\NC4=CC=CC=C4S3)/C(=O)C=C2)I

InChI

InChI=1S/C20H13IN2O2S/c21-15-6-2-1-5-13(15)19(25)22-12-9-10-17(24)14(11-12)20-23-16-7-3-4-8-18(16)26-20/h1-11,23H,(H,22,25)/b20-14-