1-(3-methylbutyl)-3-[(4-methylphenyl)methyl]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[(4-methylphenyl)methyl]thiourea Openeye Name: 1-isopentyl-3-(p-tolylmethyl)thiourea CAS Name: 1-(3-methylbutyl)-3-[(4-methylphenyl)methyl]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[(4-methylphenyl)methyl]thiourea Traditional Name: 1-isoamyl-3-(4-methylbenzyl)thiourea Formula: C14H22N2S MolecularWeight: 250.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)NCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)NCCC(C)C

InChI

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