N-[(3S,4R)-4-oxidanylthiepan-3-yl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[(3S,4R)-4-oxidanylthiepan-3-yl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[(3S,4R)-4-hydroxythiepan-3-yl]benzamide CAS Name: N-[(3S,4R)-4-hydroxy-3-thiepanyl]-4-phenylmethoxybenzamide IUPAC Name: N-[(3S,4R)-4-hydroxythiepan-3-yl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[(3S,4R)-4-hydroxythiepan-3-yl]benzamide Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CSC1)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

C1C[C@H]([C@@H](CSC1)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C20H23NO3S/c22-19-7-4-12-25-14-18(19)21-20(23)16-8-10-17(11-9-16)24-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19,22H,4,7,12-14H2,(H,21,23)/t18-,19-/m1/s1