N-[3-[(4-methylsulfanylphenyl)-morpholin-4-yl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[3-[(4-methylsulfanylphenyl)-morpholin-4-yl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-[(4-methylsulfanylphenyl)-morpholino-methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]furan-2-carboxamide CAS Name: N-[3-[[4-(methylthio)phenyl]-(4-morpholinyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-furancarboxamide IUPAC Name: N-[3-[(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-[[4-(methylthio)phenyl]-morpholino-methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-furamide Formula: C25H28N2O3S2 MolecularWeight: 468.63142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CO4)N5CCOCC5

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CO4)N5CCOCC5

InChI

InChI=1S/C25H28N2O3S2/c1-31-18-10-8-17(9-11-18)23(27-12-15-29-16-13-27)22-19-5-2-3-7-21(19)32-25(22)26-24(28)20-6-4-14-30-20/h4,6,8-11,14,23H,2-3,5,7,12-13,15-16H2,1H3,(H,26,28)