1-tert-butyl-3-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[[3-(cyclohexylsulfanylmethyl)benzofuran-2-carbonyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[[3-[(cyclohexylthio)methyl]-2-benzofuranyl]-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carbonyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[3-[(cyclohexylthio)methyl]benzofuran-2-carbonyl]amino]thiourea Formula: C21H29N3O2S2 MolecularWeight: 419.60386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1=C(C2=CC=CC=C2O1)CSC3CCCCC3

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1=C(C2=CC=CC=C2O1)CSC3CCCCC3

InChI

InChI=1S/C21H29N3O2S2/c1-21(2,3)22-20(27)24-23-19(25)18-16(13-28-14-9-5-4-6-10-14)15-11-7-8-12-17(15)26-18/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,23,25)(H2,22,24,27)