2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]phenyl]sulfanyl-5-nitro-benzoic acid

Systemtic Name: 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]phenyl]sulfanyl-5-nitro-benzoic acid Openeye Name: 2-[4-[(2,6-diisopropylphenyl)carbamoylamino]phenyl]sulfanyl-5-nitro-benzoic acid CAS Name: 2-[[4-[[[2,6-di(propan-2-yl)anilino]-oxomethyl]amino]phenyl]thio]-5-nitrobenzoic acid IUPAC Name: 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]phenyl]sulfanyl-5-nitrobenzoic acid Traditional Name: 2-[[4-[(2,6-diisopropylphenyl)carbamoylamino]phenyl]thio]-5-nitro-benzoic acid Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC2=CC=C(C=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC2=CC=C(C=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C26H27N3O5S/c1-15(2)20-6-5-7-21(16(3)4)24(20)28-26(32)27-17-8-11-19(12-9-17)35-23-13-10-18(29(33)34)14-22(23)25(30)31/h5-16H,1-4H3,(H,30,31)(H2,27,28,32)