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

Systemtic Name: N-[[2-oxidanylidene-3-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)-1,3-oxazolidin-5-yl]methyl]ethanethioamide Openeye Name: N-[[2-oxo-3-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)oxazolidin-5-yl]methyl]thioacetamide CAS Name: N-[[2-oxo-3-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)-5-oxazolidinyl]methyl]ethanethioamide IUPAC Name: N-[[2-oxo-3-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)-1,3-oxazolidin-5-yl]methyl]ethanethioamide Traditional Name: N-[[2-keto-3-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)oxazolidin-5-yl]methyl]thioacetamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NCC1CN(C(=O)O1)C2=CC3=C(C=C2)NCCCC3

Isomeric SMILES

CC(=S)NCC1CN(C(=O)O1)C2=CC3=C(C=C2)NCCCC3

InChI

InChI=1S/C16H21N3O2S/c1-11(22)18-9-14-10-19(16(20)21-14)13-5-6-15-12(8-13)4-2-3-7-17-15/h5-6,8,14,17H,2-4,7,9-10H2,1H3,(H,18,22)