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

Systemtic Name: 1-heptan-2-yl-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(1-methylhexyl)thiourea CAS Name: 1-heptan-2-yl-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-heptan-2-ylthiourea Traditional Name: 1-benzyl-3-(1-methylhexyl)thiourea Formula: C15H24N2S MolecularWeight: 264.42946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=S)NCC1=CC=CC=C1

Isomeric SMILES

CCCCCC(C)NC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C15H24N2S/c1-3-4-6-9-13(2)17-15(18)16-12-14-10-7-5-8-11-14/h5,7-8,10-11,13H,3-4,6,9,12H2,1-2H3,(H2,16,17,18)