1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea Openeye Name: 1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-3-(5-tert-butylisoxazol-3-yl)urea CAS Name: 1-[4-(1,3-benzothiazol-2-ylthio)phenyl]-3-(5-tert-butyl-3-isoxazolyl)urea IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea Traditional Name: 1-[4-(1,3-benzothiazol-2-ylthio)phenyl]-3-(5-tert-butylisoxazol-3-yl)urea Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4O2S2/c1-21(2,3)17-12-18(25-27-17)24-19(26)22-13-8-10-14(11-9-13)28-20-23-15-6-4-5-7-16(15)29-20/h4-12H,1-3H3,(H2,22,24,25,26)