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

Systemtic Name: methyl 4-[[(E)-(2-oxidanylidene-1-propyl-indol-3-ylidene)amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(E)-(2-oxo-1-propyl-indolin-3-ylidene)amino]carbamothioylamino]butanoate CAS Name: 4-[[[(2E)-2-(2-oxo-1-propyl-3-indolylidene)hydrazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(E)-(2-oxo-1-propylindol-3-ylidene)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(E)-(2-keto-1-propyl-indolin-3-ylidene)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NNC(=S)NCCCC(=O)OC)C1=O

Isomeric SMILES

CCCN1C2=CC=CC=C2/C(=N\NC(=S)NCCCC(=O)OC)/C1=O

InChI

InChI=1S/C17H22N4O3S/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/h4-5,7-8H,3,6,9-11H2,1-2H3,(H2,18,20,25)/b19-15+