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

Systemtic Name: N-[[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]pentanamide Openeye Name: N-[[3-[5-[(1R)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]pentanamide CAS Name: N-[[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]pentanamide Traditional Name: N-[[3-[5-[(1R)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]thiocarbamoyl]valeramide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-4-6-10-21(27)26-23(29)24-18-9-7-8-17(13-18)22-25-19-14-16(15(3)5-2)11-12-20(19)28-22/h7-9,11-15H,4-6,10H2,1-3H3,(H2,24,26,27,29)/t15-/m1/s1