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

Systemtic Name: 1-(4-bromophenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea Openeye Name: 1-(4-bromophenyl)-3-(1,1-diethylprop-2-ynyl)thiourea CAS Name: 1-(4-bromophenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea IUPAC Name: 1-(4-bromophenyl)-3-(3-ethylpent-1-yn-3-yl)thiourea Traditional Name: 1-(4-bromophenyl)-3-(1,1-diethylprop-2-ynyl)thiourea Formula: C14H17BrN2S MolecularWeight: 325.26718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN2S/c1-4-14(5-2,6-3)17-13(18)16-12-9-7-11(15)8-10-12/h1,7-10H,5-6H2,2-3H3,(H2,16,17,18)