methyl 6-[[(Z)-1-(2-oxidanylidenechromen-3-yl)ethylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-1-(2-oxidanylidenechromen-3-yl)ethylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[1-(2-oxo-1-benzopyran-3-yl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-1-(2-ketochromen-3-yl)ethylideneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCCCCC(=O)OC)C1=CC2=CC=CC=C2OC1=O

Isomeric SMILES

C/C(=N/NC(=S)NCCCCCC(=O)OC)/C1=CC2=CC=CC=C2OC1=O

InChI

InChI=1S/C19H23N3O4S/c1-13(15-12-14-8-5-6-9-16(14)26-18(15)24)21-22-19(27)20-11-7-3-4-10-17(23)25-2/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H2,20,22,27)/b21-13-