N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]-1,3-benzothiazole-6-carboxamide Formula: C21H13N3O2S2 MolecularWeight: 403.47682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=O)C4=CC5=C(C=C4)N=CS5)S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C\3/C=CC(=CC3=O)NC(=O)C4=CC5=C(C=C4)N=CS5)/S2

InChI

InChI=1S/C21H13N3O2S2/c25-17-10-13(23-20(26)12-5-8-15-19(9-12)27-11-22-15)6-7-14(17)21-24-16-3-1-2-4-18(16)28-21/h1-11,24H,(H,23,26)/b21-14+