1-pentan-2-yl-3-phenethyl-thiourea

Systemtic Name: 1-pentan-2-yl-3-phenethyl-thiourea Openeye Name: 1-(1-methylbutyl)-3-phenethyl-thiourea CAS Name: 1-pentan-2-yl-3-phenethylthiourea IUPAC Name: 1-pentan-2-yl-3-phenethylthiourea Traditional Name: 1-(1-methylbutyl)-3-phenethyl-thiourea Formula: C14H22N2S MolecularWeight: 250.40288

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=S)NCCC1=CC=CC=C1

Isomeric SMILES

CCCC(C)NC(=S)NCCC1=CC=CC=C1

InChI

InChI=1S/C14H22N2S/c1-3-7-12(2)16-14(17)15-11-10-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H2,15,16,17)