N-[[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]hexanamide Openeye Name: N-[[3-[5-[(1R)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]hexanamide CAS Name: N-[[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]hexanamide Traditional Name: N-[[3-[5-[(1R)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]thiocarbamoyl]hexanamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)C(C)CC

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)[C@H](C)CC

InChI

InChI=1S/C24H29N3O2S/c1-4-6-7-11-22(28)27-24(30)25-19-10-8-9-18(14-19)23-26-20-15-17(16(3)5-2)12-13-21(20)29-23/h8-10,12-16H,4-7,11H2,1-3H3,(H2,25,27,28,30)/t16-/m1/s1