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

Systemtic Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]-2-methyl-3-nitro-benzamide Formula: C22H17N3O4S MolecularWeight: 419.45308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=CC=CC=C3S2)C1=O)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C/C(=C\2/NC3=CC=CC=C3S2)/C1=O)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H17N3O4S/c1-12-10-14(23-21(27)15-6-5-8-18(13(15)2)25(28)29)11-16(20(12)26)22-24-17-7-3-4-9-19(17)30-22/h3-11,24H,1-2H3,(H,23,27)/b22-16+