1-tert-butyl-3-[[3-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[[3-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[[3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[[3-[[(2,4-dimethylphenyl)thio]methyl]phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[3-[[(2,4-dimethylphenyl)thio]methyl]benzoyl]amino]thiourea Formula: C21H27N3OS2 MolecularWeight: 401.58858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)NNC(=S)NC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)NNC(=S)NC(C)(C)C)C

InChI

InChI=1S/C21H27N3OS2/c1-14-9-10-18(15(2)11-14)27-13-16-7-6-8-17(12-16)19(25)23-24-20(26)22-21(3,4)5/h6-12H,13H2,1-5H3,(H,23,25)(H2,22,24,26)