1-(3-chloranyl-2-methyl-phenyl)-3-(3-methylbutyl)thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-(3-methylbutyl)thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-isopentyl-thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-(3-methylbutyl)thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-(3-methylbutyl)thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-isoamyl-thiourea Formula: C13H19ClN2S MolecularWeight: 270.82136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NCCC(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NCCC(C)C

InChI

InChI=1S/C13H19ClN2S/c1-9(2)7-8-15-13(17)16-12-6-4-5-11(14)10(12)3/h4-6,9H,7-8H2,1-3H3,(H2,15,16,17)