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

Systemtic Name: N-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C22H16N4O5S2 MolecularWeight: 480.51624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=O)C(=C3NC4=CC=CC=C4S3)C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=O)C(=C3NC4=CC=CC=C4S3)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O5S2/c1-31-18-9-6-12(10-16(18)26(29)30)20(28)25-22(32)23-13-7-8-14(17(27)11-13)21-24-15-4-2-3-5-19(15)33-21/h2-11,24H,1H3,(H2,23,25,28,32)