1-(4-butyl-2-methyl-phenyl)-3-[2-(phenylmethylsulfanyl)ethyl]thiourea

Systemtic Name: 1-(4-butyl-2-methyl-phenyl)-3-[2-(phenylmethylsulfanyl)ethyl]thiourea Openeye Name: 1-(2-benzylsulfanylethyl)-3-(4-butyl-2-methyl-phenyl)thiourea CAS Name: 1-(4-butyl-2-methylphenyl)-3-[2-(phenylmethylthio)ethyl]thiourea IUPAC Name: 1-(2-benzylsulfanylethyl)-3-(4-butyl-2-methylphenyl)thiourea Traditional Name: 1-[2-(benzylthio)ethyl]-3-(4-butyl-2-methyl-phenyl)thiourea Formula: C21H28N2S2 MolecularWeight: 372.59042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)NCCSCC2=CC=CC=C2)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)NCCSCC2=CC=CC=C2)C

InChI

InChI=1S/C21H28N2S2/c1-3-4-8-18-11-12-20(17(2)15-18)23-21(24)22-13-14-25-16-19-9-6-5-7-10-19/h5-7,9-12,15H,3-4,8,13-14,16H2,1-2H3,(H2,22,23,24)