1-(2-tert-butyl-6-ethyl-phenyl)-3-[(E)-2-phenyl-2-(phenylmethyl)sulfinyl-ethenyl]thiourea

Systemtic Name: 1-(2-tert-butyl-6-ethyl-phenyl)-3-[(E)-2-phenyl-2-(phenylmethyl)sulfinyl-ethenyl]thiourea Openeye Name: 1-[(E)-2-benzylsulfinyl-2-phenyl-vinyl]-3-(2-tert-butyl-6-ethyl-phenyl)thiourea CAS Name: 1-(2-tert-butyl-6-ethylphenyl)-3-[(E)-2-phenyl-2-(phenylmethyl)sulfinylethenyl]thiourea IUPAC Name: 1-[(E)-2-benzylsulfinyl-2-phenylethenyl]-3-(2-tert-butyl-6-ethylphenyl)thiourea Traditional Name: 1-[(E)-2-benzylsulfinyl-2-phenyl-vinyl]-3-(2-tert-butyl-6-ethyl-phenyl)thiourea Formula: C28H32N2OS2 MolecularWeight: 476.69648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)C(C)(C)C)NC(=S)NC=C(C2=CC=CC=C2)S(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)C(C)(C)C)NC(=S)N/C=C(\C2=CC=CC=C2)/S(=O)CC3=CC=CC=C3

InChI

InChI=1S/C28H32N2OS2/c1-5-22-17-12-18-24(28(2,3)4)26(22)30-27(32)29-19-25(23-15-10-7-11-16-23)33(31)20-21-13-8-6-9-14-21/h6-19H,5,20H2,1-4H3,(H2,29,30,32)/b25-19+