4-[[3-(dimethylamino)propyl-(thiophen-2-ylmethyl)amino]methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[3-(dimethylamino)propyl-(thiophen-2-ylmethyl)amino]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[3-(dimethylamino)propyl-(2-thienylmethyl)amino]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[3-(dimethylamino)propyl-(thiophen-2-ylmethyl)amino]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[3-(dimethylamino)propyl-(thiophen-2-ylmethyl)amino]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[3-(dimethylamino)propyl-(2-thenyl)amino]methyl]-6,7-dimethyl-coumarin Formula: C22H28N2O2S MolecularWeight: 384.53492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(CCCN(C)C)CC3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(CCCN(C)C)CC3=CC=CS3)C

InChI

InChI=1S/C22H28N2O2S/c1-16-11-20-18(13-22(25)26-21(20)12-17(16)2)14-24(9-6-8-23(3)4)15-19-7-5-10-27-19/h5,7,10-13H,6,8-9,14-15H2,1-4H3