N-[2-(2-dimethylaminoethyl)-4-methyl-5-sulfanylidene-2,3-dihydro-1,4-benzoxazepin-7-yl]ethanamide

Systemtic Name: N-[2-(2-dimethylaminoethyl)-4-methyl-5-sulfanylidene-2,3-dihydro-1,4-benzoxazepin-7-yl]ethanamide Openeye Name: N-[2-(2-dimethylaminoethyl)-4-methyl-5-thioxo-2,3-dihydro-1,4-benzoxazepin-7-yl]acetamide CAS Name: N-[2-(2-dimethylaminoethyl)-4-methyl-5-sulfanylidene-2,3-dihydro-1,4-benzoxazepin-7-yl]acetamide IUPAC Name: N-[2-(2-dimethylaminoethyl)-4-methyl-5-sulfanylidene-2,3-dihydro-1,4-benzoxazepin-7-yl]acetamide Traditional Name: N-[2-(2-dimethylaminoethyl)-4-methyl-5-thioxo-2,3-dihydro-1,4-benzoxazepin-7-yl]acetamide Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)OC(CN(C2=S)C)CCN(C)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)OC(CN(C2=S)C)CCN(C)C

InChI

InChI=1S/C16H23N3O2S/c1-11(20)17-12-5-6-15-14(9-12)16(22)19(4)10-13(21-15)7-8-18(2)3/h5-6,9,13H,7-8,10H2,1-4H3,(H,17,20)