methyl 4-[[(E)-(1-ethyl-2-oxidanylidene-indol-3-ylidene)amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(E)-(1-ethyl-2-oxidanylidene-indol-3-ylidene)amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(E)-(1-ethyl-2-oxo-indolin-3-ylidene)amino]carbamothioylamino]butanoate CAS Name: 4-[[[(2E)-2-(1-ethyl-2-oxo-3-indolylidene)hydrazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(E)-(1-ethyl-2-oxoindol-3-ylidene)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(E)-(1-ethyl-2-keto-indolin-3-ylidene)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=NNC(=S)NCCCC(=O)OC)C1=O

Isomeric SMILES

CCN1C2=CC=CC=C2/C(=N\NC(=S)NCCCC(=O)OC)/C1=O

InChI

InChI=1S/C16H20N4O3S/c1-3-20-12-8-5-4-7-11(12)14(15(20)22)18-19-16(24)17-10-6-9-13(21)23-2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H2,17,19,24)/b18-14+