1-[(E)-[(5-bromanyl-1-benzofuran-2-yl)-(3-methyl-3-phenyl-cyclobutyl)methylidene]amino]thiourea

Systemtic Name: 1-[(E)-[(5-bromanyl-1-benzofuran-2-yl)-(3-methyl-3-phenyl-cyclobutyl)methylidene]amino]thiourea Openeye Name: [(E)-[(5-bromobenzofuran-2-yl)-(3-methyl-3-phenyl-cyclobutyl)methylene]amino]thiourea CAS Name: [(E)-[(5-bromo-2-benzofuranyl)-(3-methyl-3-phenylcyclobutyl)methylidene]amino]thiourea IUPAC Name: [(E)-[(5-bromo-1-benzofuran-2-yl)-(3-methyl-3-phenylcyclobutyl)methylidene]amino]thiourea Traditional Name: [(E)-[(5-bromobenzofuran-2-yl)-(3-methyl-3-phenyl-cyclobutyl)methylene]amino]thiourea Formula: C21H20BrN3OS MolecularWeight: 442.372

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C1)C(=NNC(=S)N)C2=CC3=C(O2)C=CC(=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1(CC(C1)/C(=N\NC(=S)N)/C2=CC3=C(O2)C=CC(=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H20BrN3OS/c1-21(15-5-3-2-4-6-15)11-14(12-21)19(24-25-20(23)27)18-10-13-9-16(22)7-8-17(13)26-18/h2-10,14H,11-12H2,1H3,(H3,23,25,27)/b24-19+