N-(3-methyl-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-3-phenoxy-benzamide

Systemtic Name: N-(3-methyl-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-3-phenoxy-benzamide Openeye Name: N-(3-methyl-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-3-phenoxy-benzamide CAS Name: N-(3-methyl-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-3-phenoxybenzamide IUPAC Name: N-(3-methyl-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-3-phenoxybenzamide Traditional Name: N-(3-methyl-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-3-phenoxy-benzamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC(CC2SC1=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2CCC(CC2SC1=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4S/c1-23-18-11-10-15(24(26)27)13-19(18)29-21(23)22-20(25)14-6-5-9-17(12-14)28-16-7-3-2-4-8-16/h2-9,12,15,18-19H,10-11,13H2,1H3