1-[(2S)-2-ethylhexyl]-3-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]thiourea

Systemtic Name: 1-[(2S)-2-ethylhexyl]-3-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]thiourea Openeye Name: 1-[(2S)-2-ethylhexyl]-3-[[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]thiourea CAS Name: 1-[(2S)-2-ethylhexyl]-3-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]thiourea IUPAC Name: 1-[(2S)-2-ethylhexyl]-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-[[2-(2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]thiourea Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NNC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NNC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C

InChI

InChI=1S/C21H29N3O4S/c1-4-6-7-15(5-2)12-22-21(29)24-23-19(25)13-27-16-8-9-17-14(3)10-20(26)28-18(17)11-16/h8-11,15H,4-7,12-13H2,1-3H3,(H,23,25)(H2,22,24,29)/t15-/m0/s1