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

Systemtic Name: ethyl 4-[[(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(1-allyl-2-oxo-indolin-3-ylidene)amino]carbamothioylamino]benzoate CAS Name: 4-[[[2-(2-oxo-1-prop-2-enyl-3-indolylidene)hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2-oxo-1-prop-2-enylindol-3-ylidene)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(1-allyl-2-keto-indolin-3-ylidene)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)CC=C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)CC=C

InChI

InChI=1S/C21H20N4O3S/c1-3-13-25-17-8-6-5-7-16(17)18(19(25)26)23-24-21(29)22-15-11-9-14(10-12-15)20(27)28-4-2/h3,5-12H,1,4,13H2,2H3,(H2,22,24,29)