1-cyclohexyl-3-[4-[ethyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]phenyl]sulfanyl-urea

Systemtic Name: 1-cyclohexyl-3-[4-[ethyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]phenyl]sulfanyl-urea Openeye Name: 1-cyclohexyl-3-[4-[ethyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]phenyl]sulfanyl-urea CAS Name: 1-cyclohexyl-3-[[4-[ethyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]phenyl]thio]urea IUPAC Name: 1-cyclohexyl-3-[4-[ethyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]phenyl]sulfanylurea Traditional Name: 1-cyclohexyl-3-[[4-[ethyl-(7-nitrobenzofurazan-4-yl)amino]phenyl]thio]urea Formula: C21H24N6O4S MolecularWeight: 456.51806

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)SNC(=O)NC2CCCCC2)C3=CC=C(C4=NON=C34)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=C(C=C1)SNC(=O)NC2CCCCC2)C3=CC=C(C4=NON=C34)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O4S/c1-2-26(17-12-13-18(27(29)30)20-19(17)23-31-24-20)15-8-10-16(11-9-15)32-25-21(28)22-14-6-4-3-5-7-14/h8-14H,2-7H2,1H3,(H2,22,25,28)