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

Systemtic Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]-4-morpholino-3-nitro-benzamide Formula: C25H22N4O5S MolecularWeight: 490.53098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=CC=CC=C3S2)C1=O)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C/C(=C\2/NC3=CC=CC=C3S2)/C1=O)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O5S/c1-15-12-17(14-18(23(15)30)25-27-19-4-2-3-5-22(19)35-25)26-24(31)16-6-7-20(21(13-16)29(32)33)28-8-10-34-11-9-28/h2-7,12-14,27H,8-11H2,1H3,(H,26,31)/b25-18+