N-(2-morpholin-4-yl-2-phenyl-ethyl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-morpholin-4-yl-2-phenyl-ethyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(2-morpholino-2-phenyl-ethyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(4-morpholinyl)-2-phenylethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-morpholin-4-yl-2-phenylethyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(2-morpholino-2-phenyl-ethyl)-5-nitro-benzothiophene-2-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(CNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S/c25-21(20-13-16-12-17(24(26)27)6-7-19(16)29-20)22-14-18(15-4-2-1-3-5-15)23-8-10-28-11-9-23/h1-7,12-13,18H,8-11,14H2,(H,22,25)