N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-methyl-N-[(4-morpholinophenyl)methyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-methyl-N-[[4-(4-morpholinyl)phenyl]methyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-methyl-N-(4-morpholinobenzyl)-5-nitro-benzothiophene-2-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCOCC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCOCC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

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