1-(3,4-dimethoxyphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea Openeye Name: 1-(1,1-diethylprop-2-ynyl)-3-(3,4-dimethoxyphenyl)thiourea CAS Name: 1-(3,4-dimethoxyphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea Traditional Name: 1-(1,1-diethylprop-2-ynyl)-3-(3,4-dimethoxyphenyl)thiourea Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=S)NC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CCC(CC)(C#C)NC(=S)NC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C16H22N2O2S/c1-6-16(7-2,8-3)18-15(21)17-12-9-10-13(19-4)14(11-12)20-5/h1,9-11H,7-8H2,2-5H3,(H2,17,18,21)