4-[[3-(dimethylamino)propyl-(thiophen-2-ylmethyl)amino]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[3-(dimethylamino)propyl-(thiophen-2-ylmethyl)amino]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[3-(dimethylamino)propyl-(2-thienylmethyl)amino]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[3-(dimethylamino)propyl-(thiophen-2-ylmethyl)amino]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[3-(dimethylamino)propyl-(thiophen-2-ylmethyl)amino]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[3-(dimethylamino)propyl-(2-thenyl)amino]methyl]-7,8-dimethyl-coumarin Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN(CCCN(C)C)CC3=CC=CS3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN(CCCN(C)C)CC3=CC=CS3)C

InChI

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