2-acetamido-6-methyl-N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-acetamido-6-methyl-N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-acetamido-6-methyl-N-(4-morpholinophenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-acetamido-6-methyl-N-[4-(4-morpholinyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-acetamido-6-methyl-N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-acetamido-6-methyl-N-(4-morpholinophenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)N4CCOCC4)NC(=O)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)N4CCOCC4)NC(=O)C

InChI

InChI=1S/C22H27N3O3S/c1-14-3-8-18-19(13-14)29-22(23-15(2)26)20(18)21(27)24-16-4-6-17(7-5-16)25-9-11-28-12-10-25/h4-7,14H,3,8-13H2,1-2H3,(H,23,26)(H,24,27)