[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Openeye Name: [4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-1-yl]-(5-nitrobenzothiophen-2-yl)methanone CAS Name: [4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazinyl]-(5-nitro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Traditional Name: [4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazino]-(5-nitrobenzothiophen-2-yl)methanone Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c1-12-16(13(2)27-20-12)11-21-5-7-22(8-6-21)19(24)18-10-14-9-15(23(25)26)3-4-17(14)28-18/h3-4,9-10H,5-8,11H2,1-2H3