ethyl 4-[[(1-methyl-5-morpholin-4-ylsulfonyl-2-oxidanylidene-indol-3-ylidene)amino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(1-methyl-5-morpholin-4-ylsulfonyl-2-oxidanylidene-indol-3-ylidene)amino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(1-methyl-5-morpholinosulfonyl-2-oxo-indolin-3-ylidene)amino]carbamothioylamino]benzoate CAS Name: 4-[[[2-[1-methyl-5-(4-morpholinylsulfonyl)-2-oxo-3-indolylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1-methyl-5-morpholin-4-ylsulfonyl-2-oxoindol-3-ylidene)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(2-keto-1-methyl-5-morpholinosulfonyl-indolin-3-ylidene)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C23H25N5O6S2 MolecularWeight: 531.6045

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN=C2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N(C2=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN=C2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N(C2=O)C

InChI

InChI=1S/C23H25N5O6S2/c1-3-34-22(30)15-4-6-16(7-5-15)24-23(35)26-25-20-18-14-17(8-9-19(18)27(2)21(20)29)36(31,32)28-10-12-33-13-11-28/h4-9,14H,3,10-13H2,1-2H3,(H2,24,26,35)