5-(isothiocyanatomethyl)-3-[4-(1-oxidanylidene-1,4-thiazepan-4-yl)phenyl]-1,3-oxazolidin-2-one

Systemtic Name: 5-(isothiocyanatomethyl)-3-[4-(1-oxidanylidene-1,4-thiazepan-4-yl)phenyl]-1,3-oxazolidin-2-one Openeye Name: 5-(isothiocyanatomethyl)-3-[4-(1-oxo-1,4-thiazepan-4-yl)phenyl]oxazolidin-2-one CAS Name: 5-(isothiocyanatomethyl)-3-[4-(1-oxo-1,4-thiazepan-4-yl)phenyl]-2-oxazolidinone IUPAC Name: 5-(isothiocyanatomethyl)-3-[4-(1-oxo-1,4-thiazepan-4-yl)phenyl]-1,3-oxazolidin-2-one Traditional Name: 5-(isothiocyanatomethyl)-3-[4-(1-keto-1,4-thiazepan-4-yl)phenyl]oxazolidin-2-one Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCS(=O)C1)C2=CC=C(C=C2)N3CC(OC3=O)CN=C=S

Isomeric SMILES

C1CN(CCS(=O)C1)C2=CC=C(C=C2)N3CC(OC3=O)CN=C=S

InChI

InChI=1S/C16H19N3O3S2/c20-16-19(11-15(22-16)10-17-12-23)14-4-2-13(3-5-14)18-6-1-8-24(21)9-7-18/h2-5,15H,1,6-11H2