3-(2,4-dimethylphenyl)-1-hexyl-1-(phenylmethyl)thiourea

Systemtic Name: 3-(2,4-dimethylphenyl)-1-hexyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2,4-dimethylphenyl)-1-hexyl-thiourea CAS Name: 3-(2,4-dimethylphenyl)-1-hexyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2,4-dimethylphenyl)-1-hexylthiourea Traditional Name: 1-benzyl-3-(2,4-dimethylphenyl)-1-hexyl-thiourea Formula: C22H30N2S MolecularWeight: 354.552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CC1=CC=CC=C1)C(=S)NC2=C(C=C(C=C2)C)C

Isomeric SMILES

CCCCCCN(CC1=CC=CC=C1)C(=S)NC2=C(C=C(C=C2)C)C

InChI

InChI=1S/C22H30N2S/c1-4-5-6-10-15-24(17-20-11-8-7-9-12-20)22(25)23-21-14-13-18(2)16-19(21)3/h7-9,11-14,16H,4-6,10,15,17H2,1-3H3,(H,23,25)