methyl 4-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylcarbamothioylamino]-3-chloranyl-5-methoxy-benzoate

Systemtic Name: methyl 4-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylcarbamothioylamino]-3-chloranyl-5-methoxy-benzoate Openeye Name: methyl 3-chloro-4-[6-(1,3-dioxoisoindolin-2-yl)hexanoylcarbamothioylamino]-5-methoxy-benzoate CAS Name: 3-chloro-4-[[[[6-(1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]-sulfanylidenemethyl]amino]-5-methoxybenzoic acid methyl ester IUPAC Name: methyl 3-chloro-4-[6-(1,3-dioxoisoindol-2-yl)hexanoylcarbamothioylamino]-5-methoxybenzoate Traditional Name: 3-chloro-5-methoxy-4-(6-phthalimidohexanoylthiocarbamoylamino)benzoic acid methyl ester Formula: C24H24ClN3O6S MolecularWeight: 517.98186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OC)Cl)NC(=S)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OC)Cl)NC(=S)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C24H24ClN3O6S/c1-33-18-13-14(23(32)34-2)12-17(25)20(18)27-24(35)26-19(29)10-4-3-7-11-28-21(30)15-8-5-6-9-16(15)22(28)31/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H2,26,27,29,35)