1-[2,6-di(propan-2-yl)phenyl]-3-(4-quinolin-2-ylsulfanylphenyl)urea

Systemtic Name: 1-[2,6-di(propan-2-yl)phenyl]-3-(4-quinolin-2-ylsulfanylphenyl)urea Openeye Name: 1-(2,6-diisopropylphenyl)-3-[4-(2-quinolylsulfanyl)phenyl]urea CAS Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[4-(2-quinolinylthio)phenyl]urea IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-3-(4-quinolin-2-ylsulfanylphenyl)urea Traditional Name: 1-(2,6-diisopropylphenyl)-3-[4-(2-quinolylthio)phenyl]urea Formula: C28H29N3OS MolecularWeight: 455.61436

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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=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC2=CC=C(C=C2)SC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H29N3OS/c1-18(2)23-9-7-10-24(19(3)4)27(23)31-28(32)29-21-13-15-22(16-14-21)33-26-17-12-20-8-5-6-11-25(20)30-26/h5-19H,1-4H3,(H2,29,31,32)