4-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)-3-nitro-benzamide

Systemtic Name: 4-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)-3-nitro-benzamide Openeye Name: 4-tert-butyl-N-[2-morpholino-2-(2-thienyl)ethyl]-3-nitro-benzamide CAS Name: 4-tert-butyl-N-[2-(4-morpholinyl)-2-thiophen-2-ylethyl]-3-nitrobenzamide IUPAC Name: 4-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide Traditional Name: 4-tert-butyl-N-[2-morpholino-2-(2-thienyl)ethyl]-3-nitro-benzamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NCC(C2=CC=CS2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NCC(C2=CC=CS2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O4S/c1-21(2,3)16-7-6-15(13-17(16)24(26)27)20(25)22-14-18(19-5-4-12-29-19)23-8-10-28-11-9-23/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,22,25)