N-[[2-oxidanylidene-3-(1,2,4,5-tetrahydro-3-benzothiepin-7-yl)-1,3-oxazolidin-5-yl]methyl]ethanethioamide

Systemtic Name: N-[[2-oxidanylidene-3-(1,2,4,5-tetrahydro-3-benzothiepin-7-yl)-1,3-oxazolidin-5-yl]methyl]ethanethioamide Openeye Name: N-[[2-oxo-3-(1,2,4,5-tetrahydro-3-benzothiepin-7-yl)oxazolidin-5-yl]methyl]thioacetamide CAS Name: N-[[2-oxo-3-(1,2,4,5-tetrahydro-3-benzothiepin-7-yl)-5-oxazolidinyl]methyl]ethanethioamide IUPAC Name: N-[[2-oxo-3-(1,2,4,5-tetrahydro-3-benzothiepin-7-yl)-1,3-oxazolidin-5-yl]methyl]ethanethioamide Traditional Name: N-[[2-keto-3-(1,2,4,5-tetrahydro-3-benzothiepin-7-yl)oxazolidin-5-yl]methyl]thioacetamide Formula: C16H20N2O2S2 MolecularWeight: 336.4722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NCC1CN(C(=O)O1)C2=CC3=C(CCSCC3)C=C2

Isomeric SMILES

CC(=S)NCC1CN(C(=O)O1)C2=CC3=C(CCSCC3)C=C2

InChI

InChI=1S/C16H20N2O2S2/c1-11(21)17-9-15-10-18(16(19)20-15)14-3-2-12-4-6-22-7-5-13(12)8-14/h2-3,8,15H,4-7,9-10H2,1H3,(H,17,21)