ethyl 4-[[(5-bromanyl-2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(5-bromanyl-2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(1-allyl-5-bromo-2-oxo-indolin-3-ylidene)amino]carbamothioylamino]benzoate CAS Name: 4-[[[2-(5-bromo-2-oxo-1-prop-2-enyl-3-indolylidene)hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(1-allyl-5-bromo-2-keto-indolin-3-ylidene)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H19BrN4O3S MolecularWeight: 487.36956

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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)Br)N(C2=O)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN4O3S/c1-3-11-26-17-10-7-14(22)12-16(17)18(19(26)27)24-25-21(30)23-15-8-5-13(6-9-15)20(28)29-4-2/h3,5-10,12H,1,4,11H2,2H3,(H2,23,25,30)