[3,4,5-triacetyloxy-6-[(4-phenylpiperazin-1-yl)carbothioylamino]oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-[(4-phenylpiperazin-1-yl)carbothioylamino]oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[(4-phenylpiperazine-1-carbothioyl)amino]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]amino]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-[(4-phenylpiperazine-1-carbothioyl)amino]oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[(4-phenylpiperazine-1-carbothioyl)amino]tetrahydropyran-2-yl]methyl ester Formula: C25H33N3O9S MolecularWeight: 551.60922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)NC(=S)N2CCN(CC2)C3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)NC(=S)N2CCN(CC2)C3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C25H33N3O9S/c1-15(29)33-14-20-21(34-16(2)30)22(35-17(3)31)23(36-18(4)32)24(37-20)26-25(38)28-12-10-27(11-13-28)19-8-6-5-7-9-19/h5-9,20-24H,10-14H2,1-4H3,(H,26,38)