1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-ethylpent-1-yn-3-yl)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-ethylpent-1-yn-3-yl)thiourea Openeye Name: 1-(1,1-diethylprop-2-ynyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-ethylpent-1-yn-3-yl)thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-ethylpent-1-yn-3-yl)thiourea Traditional Name: 1-(1,1-diethylprop-2-ynyl)-3-homoveratryl-thiourea Formula: C18H26N2O2S MolecularWeight: 334.47624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=S)NCCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CCC(CC)(C#C)NC(=S)NCCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C18H26N2O2S/c1-6-18(7-2,8-3)20-17(23)19-12-11-14-9-10-15(21-4)16(13-14)22-5/h1,9-10,13H,7-8,11-12H2,2-5H3,(H2,19,20,23)