1-(3-chloranyl-2-methyl-phenyl)-3-heptan-2-yl-thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-heptan-2-yl-thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-(1-methylhexyl)thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-heptan-2-ylthiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-heptan-2-ylthiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-(1-methylhexyl)thiourea Formula: C15H23ClN2S MolecularWeight: 298.87452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=S)NC1=C(C(=CC=C1)Cl)C

Isomeric SMILES

CCCCCC(C)NC(=S)NC1=C(C(=CC=C1)Cl)C

InChI

InChI=1S/C15H23ClN2S/c1-4-5-6-8-11(2)17-15(19)18-14-10-7-9-13(16)12(14)3/h7,9-11H,4-6,8H2,1-3H3,(H2,17,18,19)