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

Systemtic Name: N-[2-(2-dimethylaminoethyl)-4-methyl-5-sulfanylidene-2,3-dihydro-1,4-benzoxazepin-7-yl]ethanamide; ethanedioic acid; hydrate Openeye Name: N-[2-(2-dimethylaminoethyl)-4-methyl-5-thioxo-2,3-dihydro-1,4-benzoxazepin-7-yl]acetamide; oxalic acid; hydrate CAS Name: N-[2-(2-dimethylaminoethyl)-4-methyl-5-sulfanylidene-2,3-dihydro-1,4-benzoxazepin-7-yl]acetamide; oxalic acid; hydrate IUPAC Name: N-[2-(2-dimethylaminoethyl)-4-methyl-5-sulfanylidene-2,3-dihydro-1,4-benzoxazepin-7-yl]acetamide; oxalic acid; hydrate Traditional Name: N-[2-(2-dimethylaminoethyl)-4-methyl-5-thioxo-2,3-dihydro-1,4-benzoxazepin-7-yl]acetamide; oxalic acid; hydrate Formula: C18H27N3O7S MolecularWeight: 429.48788

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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.C(=O)(C(=O)O)O.O

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S.C2H2O4.H2O/c1-11(20)17-12-5-6-15-14(9-12)16(22)19(4)10-13(21-15)7-8-18(2)3;3-1(4)2(5)6;/h5-6,9,13H,7-8,10H2,1-4H3,(H,17,20);(H,3,4)(H,5,6);1H2