N-(3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitro-benzamide

Systemtic Name: N-(3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitro-benzamide Openeye Name: N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-nitro-benzamide CAS Name: N-[3-[4-morpholinyl(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-nitrobenzamide IUPAC Name: N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-nitrobenzamide Traditional Name: N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-nitro-benzamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N4CCOCC4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N4CCOCC4

InChI

InChI=1S/C20H21N3O5S/c24-18(13-4-3-5-14(12-13)23(26)27)21-19-17(15-6-1-2-7-16(15)29-19)20(25)22-8-10-28-11-9-22/h3-5,12H,1-2,6-11H2,(H,21,24)