methyl 4-[[(Z)-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(Z)-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(Z)-(1-allyl-2-oxo-indolin-3-ylidene)amino]carbamothioylamino]butanoate CAS Name: 4-[[[(2Z)-2-(2-oxo-1-prop-2-enyl-3-indolylidene)hydrazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(Z)-(2-oxo-1-prop-2-enylindol-3-ylidene)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(Z)-(1-allyl-2-keto-indolin-3-ylidene)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NN=C1C2=CC=CC=C2N(C1=O)CC=C

Isomeric SMILES

COC(=O)CCCNC(=S)N/N=C\1/C2=CC=CC=C2N(C1=O)CC=C

InChI

InChI=1S/C17H20N4O3S/c1-3-11-21-13-8-5-4-7-12(13)15(16(21)23)19-20-17(25)18-10-6-9-14(22)24-2/h3-5,7-8H,1,6,9-11H2,2H3,(H2,18,20,25)/b19-15-