6-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

Systemtic Name: 6-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Openeye Name: N-[[4-(isopropylcarbamoylamino)phenyl]methyl]-6-methyl-2,3-dihydrobenzothiophene-2-carboxamide CAS Name: 6-methyl-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide IUPAC Name: 6-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(isopropylcarbamoylamino)benzyl]-6-methyl-2,3-dihydrobenzothiophene-2-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)NCC3=CC=C(C=C3)NC(=O)NC(C)C)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)NCC3=CC=C(C=C3)NC(=O)NC(C)C)C=C1

InChI

InChI=1S/C21H25N3O2S/c1-13(2)23-21(26)24-17-8-5-15(6-9-17)12-22-20(25)19-11-16-7-4-14(3)10-18(16)27-19/h4-10,13,19H,11-12H2,1-3H3,(H,22,25)(H2,23,24,26)