1-butyl-3-(2-chloranyl-4-methyl-phenyl)thiourea

Systemtic Name: 1-butyl-3-(2-chloranyl-4-methyl-phenyl)thiourea Openeye Name: 1-butyl-3-(2-chloro-4-methyl-phenyl)thiourea CAS Name: 1-butyl-3-(2-chloro-4-methylphenyl)thiourea IUPAC Name: 1-butyl-3-(2-chloro-4-methylphenyl)thiourea Traditional Name: 1-butyl-3-(2-chloro-4-methyl-phenyl)thiourea Formula: C12H17ClN2S MolecularWeight: 256.79478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=C(C=C(C=C1)C)Cl

Isomeric SMILES

CCCCNC(=S)NC1=C(C=C(C=C1)C)Cl

InChI

InChI=1S/C12H17ClN2S/c1-3-4-7-14-12(16)15-11-6-5-9(2)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15,16)