N-butyl-5-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-oxidanyl-ethyl]-2-oxidanyl-benzamide

Systemtic Name: N-butyl-5-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-oxidanyl-ethyl]-2-oxidanyl-benzamide Openeye Name: N-butyl-2-hydroxy-5-[1-hydroxy-2-[4-(4-methylthiazol-2-yl)piperazin-1-yl]ethyl]benzamide CAS Name: N-butyl-2-hydroxy-5-[1-hydroxy-2-[4-(4-methyl-2-thiazolyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: N-butyl-2-hydroxy-5-[1-hydroxy-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide Traditional Name: N-butyl-2-hydroxy-5-[1-hydroxy-2-[4-(4-methylthiazol-2-yl)piperazino]ethyl]benzamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C=CC(=C1)C(CN2CCN(CC2)C3=NC(=CS3)C)O)O

Isomeric SMILES

CCCCNC(=O)C1=C(C=CC(=C1)C(CN2CCN(CC2)C3=NC(=CS3)C)O)O

InChI

InChI=1S/C21H30N4O3S/c1-3-4-7-22-20(28)17-12-16(5-6-18(17)26)19(27)13-24-8-10-25(11-9-24)21-23-15(2)14-29-21/h5-6,12,14,19,26-27H,3-4,7-11,13H2,1-2H3,(H,22,28)