1-[(4-chlorophenyl)methyl]-3-heptan-2-yl-thiourea

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-heptan-2-yl-thiourea Openeye Name: 1-[(4-chlorophenyl)methyl]-3-(1-methylhexyl)thiourea CAS Name: 1-[(4-chlorophenyl)methyl]-3-heptan-2-ylthiourea IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-heptan-2-ylthiourea Traditional Name: 1-(4-chlorobenzyl)-3-(1-methylhexyl)thiourea Formula: C15H23ClN2S MolecularWeight: 298.87452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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