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

Systemtic Name: N-[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C22H16N4O4S2 MolecularWeight: 464.51684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC(=O)C(=C3NC4=CC=CC=C4S3)C=C2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC(=O)/C(=C/3\NC4=CC=CC=C4S3)/C=C2

InChI

InChI=1S/C22H16N4O4S2/c1-12-14(5-4-7-17(12)26(29)30)20(28)25-22(31)23-13-9-10-15(18(27)11-13)21-24-16-6-2-3-8-19(16)32-21/h2-11,24H,1H3,(H2,23,25,28,31)/b21-15+