1-(3-chloranyl-4-methyl-phenyl)-3-octyl-thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-octyl-thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-octyl-thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-octylthiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-octylthiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-octyl-thiourea Formula: C16H25ClN2S MolecularWeight: 312.9011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25ClN2S/c1-3-4-5-6-7-8-11-18-16(20)19-14-10-9-13(2)15(17)12-14/h9-10,12H,3-8,11H2,1-2H3,(H2,18,19,20)