N-[[2-oxidanylidene-3-[4-(1,4-thiazepan-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]cyclopropanecarbothioamide

Systemtic Name: N-[[2-oxidanylidene-3-[4-(1,4-thiazepan-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]cyclopropanecarbothioamide Openeye Name: N-[[2-oxo-3-[4-(1,4-thiazepan-4-yl)phenyl]oxazolidin-5-yl]methyl]cyclopropanecarbothioamide CAS Name: N-[[2-oxo-3-[4-(1,4-thiazepan-4-yl)phenyl]-5-oxazolidinyl]methyl]cyclopropanecarbothioamide IUPAC Name: N-[[2-oxo-3-[4-(1,4-thiazepan-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]cyclopropanecarbothioamide Traditional Name: N-[[2-keto-3-[4-(1,4-thiazepan-4-yl)phenyl]oxazolidin-5-yl]methyl]cyclopropanecarbothioamide Formula: C19H25N3O2S2 MolecularWeight: 391.5507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCSC1)C2=CC=C(C=C2)N3CC(OC3=O)CNC(=S)C4CC4

Isomeric SMILES

C1CN(CCSC1)C2=CC=C(C=C2)N3CC(OC3=O)CNC(=S)C4CC4

InChI

InChI=1S/C19H25N3O2S2/c23-19-22(13-17(24-19)12-20-18(25)14-2-3-14)16-6-4-15(5-7-16)21-8-1-10-26-11-9-21/h4-7,14,17H,1-3,8-13H2,(H,20,25)