N-[[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: N-[[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 4-hexoxy-N-[[3-[5-[(1R)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]benzamide CAS Name: N-[[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 4-hexoxy-N-[[3-[5-[(1R)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]thiocarbamoyl]benzamide Formula: C31H35N3O3S MolecularWeight: 529.6929

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C(C)CC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)[C@H](C)CC

InChI

InChI=1S/C31H35N3O3S/c1-4-6-7-8-18-36-26-15-12-22(13-16-26)29(35)34-31(38)32-25-11-9-10-24(19-25)30-33-27-20-23(21(3)5-2)14-17-28(27)37-30/h9-17,19-21H,4-8,18H2,1-3H3,(H2,32,34,35,38)/t21-/m1/s1