tert-butyl 3-(4-hydroxyphenyl)-2-[[4-[2-[(3-methylphenyl)carbamoylamino]ethylamino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]propanoate

Systemtic Name: tert-butyl 3-(4-hydroxyphenyl)-2-[[4-[2-[(3-methylphenyl)carbamoylamino]ethylamino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]propanoate Openeye Name: tert-butyl 3-(4-hydroxyphenyl)-2-[[4-[2-(m-tolylcarbamoylamino)ethylamino]-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]propanoate CAS Name: 3-(4-hydroxyphenyl)-2-[[4-[2-[[(3-methylanilino)-oxomethyl]amino]ethylamino]-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-hydroxyphenyl)-2-[[4-[2-[(3-methylphenyl)carbamoylamino]ethylamino]-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]propanoate Traditional Name: 2-[[1,1-diketo-4-[2-(m-tolylcarbamoylamino)ethylamino]-1,2,5-thiadiazol-3-yl]amino]-3-(4-hydroxyphenyl)propionic acid tert-butyl ester Formula: C25H32N6O6S MolecularWeight: 544.62318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NCCNC2=NS(=O)(=O)N=C2NC(CC3=CC=C(C=C3)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NCCNC2=NS(=O)(=O)N=C2NC(CC3=CC=C(C=C3)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H32N6O6S/c1-16-6-5-7-18(14-16)28-24(34)27-13-12-26-21-22(31-38(35,36)30-21)29-20(23(33)37-25(2,3)4)15-17-8-10-19(32)11-9-17/h5-11,14,20,32H,12-13,15H2,1-4H3,(H,26,30)(H,29,31)(H2,27,28,34)