methyl 6-[[(Z)-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-(1-allyl-2-oxo-indolin-3-ylidene)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-(2-oxo-1-prop-2-enyl-3-indolylidene)hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-(2-oxo-1-prop-2-enylindol-3-ylidene)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-(1-allyl-2-keto-indolin-3-ylidene)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3S/c1-3-13-23-15-10-7-6-9-14(15)17(18(23)25)21-22-19(27)20-12-8-4-5-11-16(24)26-2/h3,6-7,9-10H,1,4-5,8,11-13H2,2H3,(H2,20,22,27)/b21-17-