1-tert-butyl-3-[[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[[5-(2-chloro-4-nitro-phenyl)furan-2-carbonyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[[5-(2-chloro-4-nitrophenyl)-2-furanyl]-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[5-(2-chloro-4-nitrophenyl)furan-2-carbonyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[5-(2-chloro-4-nitro-phenyl)-2-furoyl]amino]thiourea Formula: C16H17ClN4O4S MolecularWeight: 396.84858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1=CC=C(O1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1=CC=C(O1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H17ClN4O4S/c1-16(2,3)18-15(26)20-19-14(22)13-7-6-12(25-13)10-5-4-9(21(23)24)8-11(10)17/h4-8H,1-3H3,(H,19,22)(H2,18,20,26)