1-[(4-tert-butylphenyl)methyl]-3-(4-ethanoylphenyl)-1-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-(4-ethanoylphenyl)-1-(furan-2-ylmethyl)thiourea Openeye Name: 3-(4-acetylphenyl)-1-[(4-tert-butylphenyl)methyl]-1-(2-furylmethyl)thiourea CAS Name: 3-(4-acetylphenyl)-1-[(4-tert-butylphenyl)methyl]-1-(2-furanylmethyl)thiourea IUPAC Name: 3-(4-acetylphenyl)-1-[(4-tert-butylphenyl)methyl]-1-(furan-2-ylmethyl)thiourea Traditional Name: 3-(4-acetylphenyl)-1-(4-tert-butylbenzyl)-1-(2-furfuryl)thiourea Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C(C)(C)C)CC3=CC=CO3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C(C)(C)C)CC3=CC=CO3

InChI

InChI=1S/C25H28N2O2S/c1-18(28)20-9-13-22(14-10-20)26-24(30)27(17-23-6-5-15-29-23)16-19-7-11-21(12-8-19)25(2,3)4/h5-15H,16-17H2,1-4H3,(H,26,30)