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

Systemtic Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-nitro-benzamide Formula: C21H14N4O4S2 MolecularWeight: 450.49026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])S2

InChI

InChI=1S/C21H14N4O4S2/c26-17-10-7-13(11-15(17)20-23-16-3-1-2-4-18(16)31-20)22-21(30)24-19(27)12-5-8-14(9-6-12)25(28)29/h1-11,23H,(H2,22,24,27,30)