1-(2-chloroethyl)-3-[4-(3-methylbutyl)phenyl]urea

Systemtic Name: 1-(2-chloroethyl)-3-[4-(3-methylbutyl)phenyl]urea Openeye Name: 1-(2-chloroethyl)-3-(4-isopentylphenyl)urea CAS Name: 1-(2-chloroethyl)-3-[4-(3-methylbutyl)phenyl]urea IUPAC Name: 1-(2-chloroethyl)-3-[4-(3-methylbutyl)phenyl]urea Traditional Name: 1-(2-chloroethyl)-3-(4-isoamylphenyl)urea Formula: C14H21ClN2O MolecularWeight: 268.78234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC=C(C=C1)NC(=O)NCCCl

Isomeric SMILES

CC(C)CCC1=CC=C(C=C1)NC(=O)NCCCl

InChI

InChI=1S/C14H21ClN2O/c1-11(2)3-4-12-5-7-13(8-6-12)17-14(18)16-10-9-15/h5-8,11H,3-4,9-10H2,1-2H3,(H2,16,17,18)