1-(3-ethylpent-1-yn-3-yl)-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea

Systemtic Name: 1-(3-ethylpent-1-yn-3-yl)-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-(1,1-diethylprop-2-ynyl)-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-(3-ethylpent-1-yn-3-yl)-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-(3-ethylpent-1-yn-3-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-(1,1-diethylprop-2-ynyl)-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=S)NC1=CC2=C(C=C1)C(=CC(=O)O2)C

Isomeric SMILES

CCC(CC)(C#C)NC(=S)NC1=CC2=C(C=C1)C(=CC(=O)O2)C

InChI

InChI=1S/C18H20N2O2S/c1-5-18(6-2,7-3)20-17(23)19-13-8-9-14-12(4)10-16(21)22-15(14)11-13/h1,8-11H,6-7H2,2-4H3,(H2,19,20,23)