N-[2-[[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-4-fluoranyl-N-(2-methoxyethyl)benzamide

Systemtic Name: N-[2-[[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-4-fluoranyl-N-(2-methoxyethyl)benzamide Openeye Name: N-[2-[[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]thiazol-2-yl]amino]-2-oxo-ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide CAS Name: N-[2-[[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-2-thiazolyl]amino]-2-oxoethyl]-4-fluoro-N-(2-methoxyethyl)benzamide IUPAC Name: N-[2-[[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-N-(2-methoxyethyl)benzamide Traditional Name: 4-fluoro-N-[2-keto-2-[[4-[2-keto-2-(4-piperonylpiperazino)ethyl]thiazol-2-yl]amino]ethyl]-N-(2-methoxyethyl)benzamide Formula: C29H32FN5O6S MolecularWeight: 597.657683

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC(=O)NC1=NC(=CS1)CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

COCCN(CC(=O)NC1=NC(=CS1)CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H32FN5O6S/c1-39-13-12-35(28(38)21-3-5-22(30)6-4-21)17-26(36)32-29-31-23(18-42-29)15-27(37)34-10-8-33(9-11-34)16-20-2-7-24-25(14-20)41-19-40-24/h2-7,14,18H,8-13,15-17,19H2,1H3,(H,31,32,36)