5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: 5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 5-methyl-N-[4-(tetrahydrofuran-2-ylmethylcarbamoylamino)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 5-methyl-N-[4-[[oxo-(2-oxolanylmethylamino)methyl]amino]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 5-methyl-N-[4-(tetrahydrofurfurylcarbamoylamino)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=C(C=C3)NC(=O)NCC4CCCO4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=C(C=C3)NC(=O)NCC4CCCO4

InChI

InChI=1S/C22H27N3O3S/c1-14-4-9-19-15(11-14)12-20(29-19)21(26)24-16-5-7-17(8-6-16)25-22(27)23-13-18-3-2-10-28-18/h5-8,12,14,18H,2-4,9-11,13H2,1H3,(H,24,26)(H2,23,25,27)