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

Systemtic Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C23H18N4O5S2 MolecularWeight: 494.54282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O5S2/c1-2-32-19-10-7-13(11-17(19)27(30)31)21(29)26-23(33)24-14-8-9-18(28)15(12-14)22-25-16-5-3-4-6-20(16)34-22/h3-12,25H,2H2,1H3,(H2,24,26,29,33)