N-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-2-methyl-propanamide

Systemtic Name: N-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-2-methyl-propanamide Openeye Name: 2-methyl-N-[[3-[5-[(1S)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]propanamide CAS Name: N-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]anilino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-2-methylpropanamide Traditional Name: 2-methyl-N-[[3-[5-[(1S)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]thiocarbamoyl]propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C(C)C

Isomeric SMILES

CC[C@H](C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C(C)C

InChI

InChI=1S/C22H25N3O2S/c1-5-14(4)15-9-10-19-18(12-15)24-21(27-19)16-7-6-8-17(11-16)23-22(28)25-20(26)13(2)3/h6-14H,5H2,1-4H3,(H2,23,25,26,28)/t14-/m0/s1