2-[[2-methoxy-5-[(Z)-C-methyl-N-(prop-2-enylcarbamothioylamino)carbonimidoyl]phenyl]methylsulfanyl]ethanoate

Systemtic Name: 2-[[2-methoxy-5-[(Z)-C-methyl-N-(prop-2-enylcarbamothioylamino)carbonimidoyl]phenyl]methylsulfanyl]ethanoate Openeye Name: 2-[[5-[(Z)-N-(allylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]acetate CAS Name: 2-[[2-methoxy-5-[(1Z)-1-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]phenyl]methylthio]acetate IUPAC Name: 2-[[2-methoxy-5-[(Z)-C-methyl-N-(prop-2-enylcarbamothioylamino)carbonimidoyl]phenyl]methylsulfanyl]acetate Traditional Name: 2-[[5-[(Z)-N-(allylthiocarbamoylamino)-C-methyl-carbonimidoyl]-2-methoxy-benzyl]thio]acetate Formula: C16H20N3O3S2- MolecularWeight: 366.4783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC=C)C1=CC(=C(C=C1)OC)CSCC(=O)[O-]

Isomeric SMILES

C/C(=N/NC(=S)NCC=C)/C1=CC(=C(C=C1)OC)CSCC(=O)[O-]

InChI

InChI=1S/C16H21N3O3S2/c1-4-7-17-16(23)19-18-11(2)12-5-6-14(22-3)13(8-12)9-24-10-15(20)21/h4-6,8H,1,7,9-10H2,2-3H3,(H,20,21)(H2,17,19,23)/p-1/b18-11-