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

Systemtic Name: N-[[2-oxidanylidene-3-[4-(1,4-thiazepan-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]azetidine-1-carbothioamide Openeye Name: N-[[2-oxo-3-[4-(1,4-thiazepan-4-yl)phenyl]oxazolidin-5-yl]methyl]azetidine-1-carbothioamide CAS Name: N-[[2-oxo-3-[4-(1,4-thiazepan-4-yl)phenyl]-5-oxazolidinyl]methyl]-1-azetidinecarbothioamide IUPAC Name: N-[[2-oxo-3-[4-(1,4-thiazepan-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]azetidine-1-carbothioamide Traditional Name: N-[[2-keto-3-[4-(1,4-thiazepan-4-yl)phenyl]oxazolidin-5-yl]methyl]azetidine-1-carbothioamide Formula: C19H26N4O2S2 MolecularWeight: 406.56534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C(=S)NCC2CN(C(=O)O2)C3=CC=C(C=C3)N4CCCSCC4

Isomeric SMILES

C1CN(C1)C(=S)NCC2CN(C(=O)O2)C3=CC=C(C=C3)N4CCCSCC4

InChI

InChI=1S/C19H26N4O2S2/c24-19-23(14-17(25-19)13-20-18(26)22-7-1-8-22)16-5-3-15(4-6-16)21-9-2-11-27-12-10-21/h3-6,17H,1-2,7-14H2,(H,20,26)