1-(2,5-dimethylthiophen-3-yl)-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-4-[4-(2-hydroxyphenyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-(2-hydroxyphenyl)piperazino]butane-1,4-dione Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C20H24N2O3S/c1-14-13-16(15(2)26-14)18(23)7-8-20(25)22-11-9-21(10-12-22)17-5-3-4-6-19(17)24/h3-6,13,24H,7-12H2,1-2H3