4-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[4-[(5-chloro-2-thienyl)methyl]piperazino]methyl]-7,8-dimethyl-coumarin Formula: C21H23ClN2O2S MolecularWeight: 402.93752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC=C(S4)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC=C(S4)Cl)C

InChI

InChI=1S/C21H23ClN2O2S/c1-14-3-5-18-16(11-20(25)26-21(18)15(14)2)12-23-7-9-24(10-8-23)13-17-4-6-19(22)27-17/h3-6,11H,7-10,12-13H2,1-2H3