[3-tert-butyl-5-[(4-methylpiperazin-1-yl)methyl]-4-oxidanyl-phenyl]-thiophen-2-yl-methanone

Systemtic Name: [3-tert-butyl-5-[(4-methylpiperazin-1-yl)methyl]-4-oxidanyl-phenyl]-thiophen-2-yl-methanone Openeye Name: [3-tert-butyl-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-(2-thienyl)methanone CAS Name: [3-tert-butyl-4-hydroxy-5-[(4-methyl-1-piperazinyl)methyl]phenyl]-thiophen-2-ylmethanone IUPAC Name: [3-tert-butyl-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-thiophen-2-ylmethanone Traditional Name: [3-tert-butyl-4-hydroxy-5-[(4-methylpiperazino)methyl]phenyl]-(2-thienyl)methanone Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)CN2CCN(CC2)C)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)CN2CCN(CC2)C)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H28N2O2S/c1-21(2,3)17-13-15(20(25)18-6-5-11-26-18)12-16(19(17)24)14-23-9-7-22(4)8-10-23/h5-6,11-13,24H,7-10,14H2,1-4H3