1-butyl-3-(2-chloranyl-4,6-dimethyl-phenyl)thiourea

Systemtic Name: 1-butyl-3-(2-chloranyl-4,6-dimethyl-phenyl)thiourea Openeye Name: 1-butyl-3-(2-chloro-4,6-dimethyl-phenyl)thiourea CAS Name: 1-butyl-3-(2-chloro-4,6-dimethylphenyl)thiourea IUPAC Name: 1-butyl-3-(2-chloro-4,6-dimethylphenyl)thiourea Traditional Name: 1-butyl-3-(2-chloro-4,6-dimethyl-phenyl)thiourea Formula: C13H19ClN2S MolecularWeight: 270.82136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=C(C=C(C=C1Cl)C)C

Isomeric SMILES

CCCCNC(=S)NC1=C(C=C(C=C1Cl)C)C

InChI

InChI=1S/C13H19ClN2S/c1-4-5-6-15-13(17)16-12-10(3)7-9(2)8-11(12)14/h7-8H,4-6H2,1-3H3,(H2,15,16,17)