1-(3-ethylpent-1-yn-3-yl)-3-phenethyl-thiourea

Systemtic Name: 1-(3-ethylpent-1-yn-3-yl)-3-phenethyl-thiourea Openeye Name: 1-(1,1-diethylprop-2-ynyl)-3-phenethyl-thiourea CAS Name: 1-(3-ethylpent-1-yn-3-yl)-3-phenethylthiourea IUPAC Name: 1-(3-ethylpent-1-yn-3-yl)-3-phenethylthiourea Traditional Name: 1-(1,1-diethylprop-2-ynyl)-3-phenethyl-thiourea Formula: C16H22N2S MolecularWeight: 274.42428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2S/c1-4-16(5-2,6-3)18-15(19)17-13-12-14-10-8-7-9-11-14/h1,7-11H,5-6,12-13H2,2-3H3,(H2,17,18,19)