4-methyl-7-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)carbonylphenyl]methoxy]chromen-2-one

Systemtic Name: 4-methyl-7-[[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)carbonylphenyl]methoxy]chromen-2-one Openeye Name: 4-methyl-7-[[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]methoxy]chromen-2-one CAS Name: 4-methyl-7-[[4-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]phenyl]methoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]methoxy]chromen-2-one Traditional Name: 4-methyl-7-[4-[4-(2-thenoyl)piperazine-1-carbonyl]benzyl]oxy-coumarin Formula: C27H24N2O5S MolecularWeight: 488.55486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H24N2O5S/c1-18-15-25(30)34-23-16-21(8-9-22(18)23)33-17-19-4-6-20(7-5-19)26(31)28-10-12-29(13-11-28)27(32)24-3-2-14-35-24/h2-9,14-16H,10-13,17H2,1H3