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

Systemtic Name: 1-butyl-3-(3-chloranyl-2-methyl-phenyl)thiourea Openeye Name: 1-butyl-3-(3-chloro-2-methyl-phenyl)thiourea CAS Name: 1-butyl-3-(3-chloro-2-methylphenyl)thiourea IUPAC Name: 1-butyl-3-(3-chloro-2-methylphenyl)thiourea Traditional Name: 1-butyl-3-(3-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(=CC=C1)Cl)C

Isomeric SMILES

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

InChI

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