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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-octyl-thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-octyl-thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-octylthiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-octylthiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-octyl-thiourea Formula: C16H25ClN2S MolecularWeight: 312.9011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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