1-(4-butylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea

Systemtic Name: 1-(4-butylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea Openeye Name: 1-(4-butylphenyl)-3-(1,1-diethylprop-2-ynyl)thiourea CAS Name: 1-(4-butylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea IUPAC Name: 1-(4-butylphenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea Traditional Name: 1-(4-butylphenyl)-3-(1,1-diethylprop-2-ynyl)thiourea Formula: C18H26N2S MolecularWeight: 302.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC(CC)(CC)C#C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC(CC)(CC)C#C

InChI

InChI=1S/C18H26N2S/c1-5-9-10-15-11-13-16(14-12-15)19-17(21)20-18(6-2,7-3)8-4/h2,11-14H,5,7-10H2,1,3-4H3,(H2,19,20,21)