methyl 6-[[(E)-(2-oxidanylidene-1-propyl-indol-3-ylidene)amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(E)-(2-oxidanylidene-1-propyl-indol-3-ylidene)amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(E)-(2-oxo-1-propyl-indolin-3-ylidene)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2E)-2-(2-oxo-1-propyl-3-indolylidene)hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(E)-(2-oxo-1-propylindol-3-ylidene)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(E)-(2-keto-1-propyl-indolin-3-ylidene)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3S/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/h6-7,9-10H,3-5,8,11-13H2,1-2H3,(H2,20,22,27)/b21-17+