1-(2-ethylphenyl)-3-heptan-2-yl-thiourea

Systemtic Name: 1-(2-ethylphenyl)-3-heptan-2-yl-thiourea Openeye Name: 1-(2-ethylphenyl)-3-(1-methylhexyl)thiourea CAS Name: 1-(2-ethylphenyl)-3-heptan-2-ylthiourea IUPAC Name: 1-(2-ethylphenyl)-3-heptan-2-ylthiourea Traditional Name: 1-(2-ethylphenyl)-3-(1-methylhexyl)thiourea Formula: C16H26N2S MolecularWeight: 278.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=S)NC1=CC=CC=C1CC

Isomeric SMILES

CCCCCC(C)NC(=S)NC1=CC=CC=C1CC

InChI

InChI=1S/C16H26N2S/c1-4-6-7-10-13(3)17-16(19)18-15-12-9-8-11-14(15)5-2/h8-9,11-13H,4-7,10H2,1-3H3,(H2,17,18,19)