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

Systemtic Name: N-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: 3-methyl-N-[[3-[5-[(1S)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]butanamide CAS Name: N-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: 3-methyl-N-[[3-[5-[(1S)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]thiocarbamoyl]butyramide Formula: C23H27N3O2S MolecularWeight: 409.54438

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-5-15(4)16-9-10-20-19(13-16)25-22(28-20)17-7-6-8-18(12-17)24-23(29)26-21(27)11-14(2)3/h6-10,12-15H,5,11H2,1-4H3,(H2,24,26,27,29)/t15-/m0/s1