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

Systemtic Name: 1-butyl-3-(4-chloranyl-2-methyl-phenyl)thiourea Openeye Name: 1-butyl-3-(4-chloro-2-methyl-phenyl)thiourea CAS Name: 1-butyl-3-(4-chloro-2-methylphenyl)thiourea IUPAC Name: 1-butyl-3-(4-chloro-2-methylphenyl)thiourea Traditional Name: 1-butyl-3-(4-chloro-2-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)Cl)C

Isomeric SMILES

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

InChI

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