3-hexyl-1-methyl-1-phenyl-thiourea

Systemtic Name: 3-hexyl-1-methyl-1-phenyl-thiourea Openeye Name: 3-hexyl-1-methyl-1-phenyl-thiourea CAS Name: 3-hexyl-1-methyl-1-phenylthiourea IUPAC Name: 3-hexyl-1-methyl-1-phenylthiourea Traditional Name: 3-hexyl-1-methyl-1-phenyl-thiourea Formula: C14H22N2S MolecularWeight: 250.40288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)N(C)C1=CC=CC=C1

Isomeric SMILES

CCCCCCNC(=S)N(C)C1=CC=CC=C1

InChI

InChI=1S/C14H22N2S/c1-3-4-5-9-12-15-14(17)16(2)13-10-7-6-8-11-13/h6-8,10-11H,3-5,9,12H2,1-2H3,(H,15,17)