7-bromanyl-2-(2-dimethylaminoethyl)-4-methyl-2,3-dihydro-1,4-benzoxazepine-5-thione; ethanedioic acid; hydrate

Systemtic Name: 7-bromanyl-2-(2-dimethylaminoethyl)-4-methyl-2,3-dihydro-1,4-benzoxazepine-5-thione; ethanedioic acid; hydrate Openeye Name: 7-bromo-2-(2-dimethylaminoethyl)-4-methyl-2,3-dihydro-1,4-benzoxazepine-5-thione; oxalic acid; hydrate CAS Name: 7-bromo-2-(2-dimethylaminoethyl)-4-methyl-2,3-dihydro-1,4-benzoxazepine-5-thione; oxalic acid; hydrate IUPAC Name: 7-bromo-2-(2-dimethylaminoethyl)-4-methyl-2,3-dihydro-1,4-benzoxazepine-5-thione; oxalic acid; hydrate Traditional Name: 7-bromo-2-(2-dimethylaminoethyl)-4-methyl-2,3-dihydro-1,4-benzoxazepine-5-thione; oxalic acid; hydrate Formula: C16H23BrN2O6S MolecularWeight: 451.33262

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(OC2=C(C1=S)C=C(C=C2)Br)CCN(C)C.C(=O)(C(=O)O)O.O

Isomeric SMILES

CN1CC(OC2=C(C1=S)C=C(C=C2)Br)CCN(C)C.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C14H19BrN2OS.C2H2O4.H2O/c1-16(2)7-6-11-9-17(3)14(19)12-8-10(15)4-5-13(12)18-11;3-1(4)2(5)6;/h4-5,8,11H,6-7,9H2,1-3H3;(H,3,4)(H,5,6);1H2